data_2lux_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 2lux _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.563 ' HG ' ' H ' ' A' ' 5' ' ' GLU . 60.7 p . . . . . 0 C--O 1.236 0.383 0 CA-C-O 121.116 0.484 . . . . 0.0 110.75 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.98 -35.69 75.56 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.27 -41.23 96.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.568 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.563 ' H ' ' HG ' ' A' ' 2' ' ' SER . 97.8 mt-10 -65.87 -39.26 90.55 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.038 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.6 m -61.59 -42.92 99.55 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.215 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.14 -36.42 81.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.475 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.1 ttm -59.84 -43.39 94.63 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.876 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.69 -32.4 67.31 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.314 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.8 m -57.36 -36.37 71.12 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.69 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 mt -61.85 -42.14 98.69 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.231 -0.988 . . . . 0.0 111.394 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.9 mt -65.96 -45.94 89.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.124 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -60.31 -43.25 96.52 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.627 -0.429 . . . . 0.0 112.114 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 m -72.57 -40.3 62.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.575 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -61.76 -47.06 86.88 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.945 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.35 -46.8 84.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.324 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.89 -52.74 47.51 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.114 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -62.71 -45.65 91.75 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.659 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 t -60.55 -40.51 91.83 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.041 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.45 -37.16 94.09 Favored Glycine 0 CA--C 1.524 0.628 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.554 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.81 -41.86 87.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.507 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -128.85 145.25 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.551 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.16 -164.32 54.91 Favored Glycine 0 C--N 1.331 0.288 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.86 137.57 47.61 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -61.59 -38.98 89.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 110.91 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -66.5 -34.69 78.49 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.53 147.72 48.21 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 tp -106.51 124.86 50.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.768 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.465 ' HG ' ' H ' ' A' ' 32' ' ' GLU . 53.8 p -83.82 159.72 21.34 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.174 -0.61 . . . . 0.0 109.615 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -58.37 -39.17 78.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 119.634 -0.827 . . . . 0.0 110.138 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -58.03 -42.42 85.27 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.835 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.507 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 97.9 mt-10 -66.51 -38.79 87.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.917 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.8 tp -64.78 -43.89 91.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.823 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -60.29 -46.0 91.37 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.004 0.43 . . . . 0.0 110.93 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.05 -39.91 93.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.726 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.4 tp -61.34 -51.86 67.05 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.356 -0.538 . . . . 0.0 112.285 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.9 -37.64 72.97 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.082 -0.647 . . . . 0.0 112.512 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.73 -46.24 90.5 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 118.923 -1.111 . . . . 0.0 111.122 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.2 m -75.76 -48.45 21.72 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -76.68 -33.19 58.26 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.691 ' CD2' ' H ' ' A' ' 43' ' ' GLY . 5.1 tt -96.98 143.31 27.96 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.332 0.587 . . . . 0.0 110.604 -177.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.598 ' C ' ' H ' ' A' ' 44' ' ' PHE . 25.6 t -49.2 -24.81 1.9 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.721 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.691 ' H ' ' CD2' ' A' ' 41' ' ' LEU . . . -44.41 -11.59 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.598 ' H ' ' C ' ' A' ' 42' ' ' SER . 65.8 t80 -49.29 -40.83 36.21 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.94 -35.76 71.57 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' GLY . 88.8 m-20 -80.42 9.4 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.359 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.517 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -58.09 -24.92 60.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.519 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.517 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.8 mt-30 -53.22 -157.4 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -57.04 -27.63 61.83 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.508 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.77 -34.6 62.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.125 0.488 . . . . 0.0 109.743 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.3 p -52.93 -29.73 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.933 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.31 -35.37 62.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.68 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.63 -27.83 59.23 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.078 0.466 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 p -52.61 -37.74 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.17 -41.45 97.12 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 119.624 -0.83 . . . . 0.0 110.159 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.95 -40.3 97.27 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.5 m -71.61 -31.67 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 119.779 -0.768 . . . . 0.0 112.023 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.4 mmm -58.35 -37.32 74.94 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.786 -0.365 . . . . 0.0 111.693 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.27 -44.42 95.35 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.873 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.63 -40.5 84.63 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.882 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.45 -36.62 81.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.765 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.529 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 42.7 t0 -85.93 105.42 16.39 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.529 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.16 -37.43 83.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.52 0.676 . . . . 0.0 109.376 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -58.84 -37.49 76.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.191 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.62 6.89 88.86 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 107.994 -2.042 . . . . 0.0 107.994 -177.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.2 p30 -63.13 -33.78 76.2 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 114.218 -0.991 . . . . 0.0 112.942 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.46 -3.98 66.39 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.496 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 95.7 mt-10 -111.23 154.09 24.92 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.8 m -124.37 149.69 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-O 122.18 0.99 . . . . 0.0 112.862 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -106.86 166.49 10.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 113.55 -1.659 . . . . 0.0 108.351 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -51.34 -41.49 60.63 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.784 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -59.63 -42.7 93.31 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.574 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -68.68 -38.15 80.12 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.465 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -62.21 -44.89 95.56 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.394 -0.821 . . . . 0.0 113.16 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 p -60.5 -39.26 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 119.846 -0.741 . . . . 0.0 111.126 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.73 -33.47 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.838 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.89 -42.45 98.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.7 m -73.52 -32.34 35.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.833 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.33 87.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.066 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.19 95.43 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.912 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.35 -36.04 82.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.432 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.7 m -52.84 -38.35 61.33 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.818 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 80.1 t -60.24 -35.51 62.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.25 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.89 -38.92 90.13 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.887 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 10.2 ttp -59.74 -38.91 83.05 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 119.627 -0.829 . . . . 0.0 108.825 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -58.33 -41.87 85.55 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.258 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -60.81 -41.63 96.07 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.487 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.65 -41.03 94.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.413 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -52.96 -39.06 62.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.015 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.32 -35.62 62.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.473 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.98 -33.07 73.64 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.547 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.569 ' O ' ' CB ' ' A' ' 93' ' ' SER . 26.9 t30 -102.0 128.38 48.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.431 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.711 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.592 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.555 ' HG ' ' H ' ' B' ' 5' ' ' GLU . 60.7 p -69.72 163.08 26.48 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.128 0.489 . . . . 0.0 110.705 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.91 -35.7 75.44 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.6 tt -61.36 -41.13 96.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.197 -0.601 . . . . 0.0 109.603 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.555 ' H ' ' HG ' ' B' ' 2' ' ' SER . 97.8 mt-10 -65.87 -39.27 90.54 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.071 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.4 m -61.6 -42.94 99.59 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.215 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.09 -36.43 81.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.509 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 46.1 ttm -59.8 -43.41 94.48 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.852 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.71 -32.41 67.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.325 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.8 m -57.32 -36.34 70.99 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.678 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.0 mt -61.97 -42.03 98.67 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 119.241 -0.983 . . . . 0.0 111.434 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.0 mt -66.01 -45.94 89.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.123 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -60.28 -43.27 96.37 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.553 -0.459 . . . . 0.0 112.057 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 m -72.62 -40.26 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.563 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -61.76 -47.15 86.49 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.973 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.29 -46.72 85.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.348 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.94 -52.65 47.85 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.166 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -62.76 -45.73 91.35 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.62 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.7 t -60.43 -40.63 91.78 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.379 -0.529 . . . . 0.0 110.022 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.38 -37.22 94.19 Favored Glycine 0 CA--C 1.523 0.588 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.561 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.81 -41.78 87.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.499 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -128.85 145.26 51.25 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.573 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.19 -164.42 54.91 Favored Glycine 0 CA--C 1.518 0.251 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -71.83 137.63 47.69 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -61.61 -38.89 89.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.103 0.478 . . . . 0.0 110.905 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -66.62 -34.74 78.55 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -124.48 147.83 48.09 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 tp -106.58 124.77 50.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.55 -1.204 . . . . 0.0 108.851 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.451 ' HG ' ' H ' ' B' ' 32' ' ' GLU . 53.7 p -83.68 159.73 21.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.643 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -58.43 -39.06 78.76 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.559 -0.857 . . . . 0.0 110.171 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -58.11 -42.44 85.75 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.951 -0.699 . . . . 0.0 109.758 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.499 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 97.9 mt-10 -66.47 -38.83 88.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.863 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 32.8 tp -64.81 -43.83 91.86 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.855 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -60.34 -45.99 91.51 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-O 120.994 0.426 . . . . 0.0 110.9 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.17 -39.77 93.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.754 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.31 -51.87 67.06 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.368 -0.533 . . . . 0.0 112.277 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 42.9 mt -70.97 -37.67 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.02 -0.672 . . . . 0.0 112.392 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.67 -46.3 90.33 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 118.869 -1.132 . . . . 0.0 111.094 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.4 m -75.69 -48.5 21.72 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -76.63 -33.14 58.37 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.681 ' CD2' ' H ' ' B' ' 43' ' ' GLY . 5.1 tt -97.12 143.38 27.99 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.398 0.618 . . . . 0.0 110.549 -177.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.599 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.1 t -49.1 -24.84 1.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.717 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.681 ' H ' ' CD2' ' B' ' 41' ' ' LEU . . . -44.38 -11.63 0.02 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.599 ' N ' ' O ' ' B' ' 42' ' ' SER . 65.8 t80 -49.33 -40.85 36.72 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 28.8 tp -57.94 -35.83 71.67 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' B' ' 43' ' ' GLY . 88.7 m-20 -80.23 9.26 5.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.509 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -58.09 -24.88 60.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.545 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.509 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.8 mt-30 -53.18 -157.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -57.0 -27.63 61.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.441 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -54.82 -34.57 62.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.119 0.485 . . . . 0.0 109.734 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.405 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 5.3 p -52.89 -29.7 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.934 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.33 -35.42 62.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.783 0.325 . . . . 0.0 110.654 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.66 -27.84 59.48 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.044 0.449 . . . . 0.0 109.95 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 4.9 p -52.64 -37.71 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -64.23 -41.38 97.03 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.113 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.97 -40.32 97.35 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 10.4 m -71.57 -31.66 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 119.778 -0.769 . . . . 0.0 112.028 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.4 mmm -58.36 -37.3 74.92 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.793 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.37 -44.3 95.73 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.842 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.67 -40.57 84.44 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.83 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 76.9 mt -67.42 -36.6 81.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.856 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.535 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 42.7 t0 -86.0 105.45 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.575 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.16 -37.32 83.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.468 0.651 . . . . 0.0 109.441 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -58.84 -37.54 76.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.072 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.49 7.03 88.78 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 108.015 -2.034 . . . . 0.0 108.015 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.2 p30 -63.1 -33.88 76.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 114.174 -1.013 . . . . 0.0 112.979 -179.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.6 -4.02 66.08 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.5 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 95.7 mt-10 -111.24 154.17 24.82 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 32.5 m -124.46 149.77 28.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 122.075 0.941 . . . . 0.0 112.786 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -106.98 166.56 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.276 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -51.24 -41.61 60.46 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.436 -0.906 . . . . 0.0 109.769 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -59.66 -42.71 93.45 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.482 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -68.72 -38.09 79.97 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 119.609 -0.837 . . . . 0.0 110.422 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -62.22 -44.84 95.66 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.401 HG12 ' N ' ' B' ' 76' ' ' VAL . 3.6 p -60.51 -39.38 81.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.052 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.401 ' N ' HG12 ' B' ' 75' ' ' VAL . 30.1 m -75.63 -33.51 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.755 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.4 tt -60.9 -42.43 98.01 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.047 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.9 m -73.57 -32.32 35.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.752 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.45 87.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.022 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.71 -42.0 95.59 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.99 -0.684 . . . . 0.0 109.967 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 mt -64.4 -36.02 82.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.412 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 71.0 m -52.91 -38.34 61.7 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.827 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 78.6 t -60.22 -35.52 62.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.259 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.9 90.11 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.926 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 10.2 ttp -59.73 -38.85 82.82 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.573 -0.851 . . . . 0.0 108.854 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -58.48 -41.67 85.8 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.278 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -60.96 -41.59 96.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.7 -40.99 94.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.327 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -53.03 -39.01 62.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.947 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.38 -35.61 63.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.437 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.04 -32.93 73.49 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.573 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' B' ' 93' ' ' SER . 26.9 t30 -102.16 128.38 48.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.418 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.748 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 C--O 1.237 0.429 0 CA-C-O 120.977 0.418 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.16 -35.86 78.24 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.9 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.66 -42.76 93.58 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.5 -41.36 93.29 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.569 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -61.55 -42.68 99.19 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.785 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.53 -40.01 85.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.709 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.4 ttm -60.71 -44.77 96.17 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.1 -32.13 67.8 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.318 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.6 m -56.97 -37.07 71.08 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.22 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.1 -41.72 99.44 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.175 -1.01 . . . . 0.0 110.728 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.438 HD11 HG23 ' A' ' 12' ' ' ILE . 75.2 mt -65.36 -44.47 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.015 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -60.73 -41.44 95.35 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.849 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.421 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 25.4 m -73.19 -39.28 56.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 C-N-CA 119.735 -0.786 . . . . 0.0 110.307 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -61.19 -47.93 83.89 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.001 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.9 -46.63 86.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.178 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.78 -49.1 69.55 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 120.099 -0.64 . . . . 0.0 112.022 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.578 ' CD2' ' OE2' ' A' ' 40' ' ' GLU . 85.3 m-70 -63.23 -49.03 75.79 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.632 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 m -62.32 -39.99 94.88 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.058 0.456 . . . . 0.0 111.18 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.21 -35.51 92.17 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-N 115.48 -0.782 . . . . 0.0 113.301 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -58.3 -40.93 83.31 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.538 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -127.44 152.45 47.52 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.923 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.97 -160.42 26.22 Favored Glycine 0 CA--C 1.521 0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.696 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.16 138.36 47.61 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.91 -38.29 85.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.287 0.565 . . . . 0.0 110.469 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -66.82 -32.7 74.15 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -114.99 146.22 41.45 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 tp -105.24 131.54 52.57 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.33 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.1 t -103.03 148.89 25.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.589 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 38.4 tttt -55.48 -36.92 67.13 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 118.863 -1.135 . . . . 0.0 109.97 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -55.41 -40.72 71.81 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.538 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.6 mt-10 -66.1 -37.22 85.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 177.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.5 tp -63.34 -46.73 85.28 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.692 -178.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.504 ' CE ' ' NZ ' ' A' ' 30' ' ' LYS . 97.9 mttt -59.7 -44.06 93.84 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 118.055 -1.458 . . . . 0.0 110.341 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.83 -37.21 85.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.7 -44.34 93.96 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -69.69 -42.54 73.98 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.705 179.169 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.82 -43.34 96.52 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 119.395 -0.922 . . . . 0.0 111.908 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.0 m -71.56 -44.18 65.01 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.578 ' OE2' ' CD2' ' A' ' 18' ' ' HIS . 96.4 mt-10 -75.72 -33.21 60.28 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -177.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.56 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.9 tp -101.1 126.71 47.81 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 119.587 -0.845 . . . . 0.0 112.447 -176.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.551 ' C ' ' H ' ' A' ' 44' ' ' PHE . 86.5 p -60.44 -26.64 66.88 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.36 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' A' ' 47' ' ' ALA . . . -47.98 -13.41 0.2 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' H ' ' C ' ' A' ' 42' ' ' SER . 88.3 t80 -50.67 -40.15 52.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.278 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.2 tp -57.61 -41.42 81.25 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.187 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -107.6 4.78 26.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 43' ' ' GLY . . . -64.06 -29.25 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.541 ' C ' ' O ' ' A' ' 47' ' ' ALA . 93.1 mt-30 -7.58 -98.05 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 41.6 pttt -57.76 -35.23 70.47 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -54.75 -29.44 53.86 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.102 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 48' ' ' GLN . 13.8 m -54.33 -34.9 28.92 Favored 'Isoleucine or valine' 0 C--N 1.337 0.034 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.37 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.9 p30 -59.79 -33.18 71.37 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.445 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.669 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -56.85 -27.14 59.86 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.77 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.0 t -55.41 -40.3 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.0 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.589 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 89.5 m-20 -63.31 -42.6 99.03 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 119.411 -0.916 . . . . 0.0 111.144 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.91 -41.28 97.72 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.3 m -73.56 -34.17 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.26 -38.46 76.97 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.609 -0.837 . . . . 0.0 111.72 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.63 -44.9 96.12 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.915 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -68.21 -43.5 77.88 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.02 -37.57 84.4 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.528 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 45.9 t0 -87.93 104.94 17.1 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.466 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -68.44 -35.51 77.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.503 0.668 . . . . 0.0 109.615 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -59.17 -38.82 80.71 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.103 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.3 6.99 88.96 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 107.94 -2.064 . . . . 0.0 107.94 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.661 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 46.8 p30 -63.13 -33.84 76.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.234 -0.983 . . . . 0.0 113.052 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.661 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.75 -5.44 66.74 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.484 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 96.0 mt-10 -112.19 154.37 25.65 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.4 m -124.6 150.27 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.92 0.867 . . . . 0.0 112.435 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -104.62 163.73 12.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 113.884 -1.507 . . . . 0.0 108.585 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -51.53 -40.95 60.62 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.754 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -58.85 -41.76 87.74 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.149 -0.62 . . . . 0.0 111.161 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -68.61 -39.06 81.0 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.356 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -63.06 -44.61 95.34 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.0 p -59.44 -39.24 78.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.616 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.2 m -75.22 -32.94 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 119.797 -0.761 . . . . 0.0 109.536 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 tt -59.19 -42.76 91.64 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.812 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.2 m -73.7 -32.11 34.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.239 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.17 85.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.333 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.31 95.65 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.049 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 mt -64.62 -35.76 82.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.488 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.6 m -52.9 -37.3 60.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.695 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.2 t -58.96 -35.78 58.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.277 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.72 -37.16 80.81 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.673 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -59.29 -38.63 80.66 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.606 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -58.09 -44.28 87.55 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.124 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -63.04 -41.21 99.44 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.208 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.598 ' CZ ' ' OE2' ' A' ' 91' ' ' GLU . 67.7 t80 -60.74 -43.8 97.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.725 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -54.29 -36.92 64.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.376 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -52.48 -31.21 33.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.339 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.598 ' OE2' ' CZ ' ' A' ' 88' ' ' PHE . 15.9 pt-20 -58.76 -29.15 66.55 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.37 -178.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -56.07 -34.5 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.516 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.581 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.5 m -63.06 154.01 32.19 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.941 0.401 . . . . 0.0 110.642 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.24 -35.8 78.23 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.929 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.7 -42.66 93.5 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.63 -41.3 92.83 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.439 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -61.6 -42.73 99.28 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.719 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.03 84.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.661 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 47.4 ttm -60.7 -44.68 96.26 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.26 -32.1 68.05 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.287 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.0 m -56.91 -37.15 71.03 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.211 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.13 -41.71 99.36 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.164 -1.014 . . . . 0.0 110.735 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.418 HG23 HD11 ' B' ' 12' ' ' ILE . 75.2 mt -65.19 -44.58 95.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.047 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.76 -41.35 95.27 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.847 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.423 ' O ' ' CD2' ' B' ' 18' ' ' HIS . 25.2 m -73.18 -39.38 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.323 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -61.13 -47.84 84.37 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.069 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.02 -46.59 86.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.169 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.86 -48.96 69.82 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.975 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.578 ' CD2' ' OE2' ' B' ' 40' ' ' GLU . 85.5 m-70 -63.33 -49.06 75.43 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.601 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -62.24 -40.05 94.89 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.228 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.15 -35.57 92.26 Favored Glycine 0 CA--C 1.524 0.651 0 CA-C-N 115.392 -0.822 . . . . 0.0 113.252 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -58.3 -40.99 83.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -127.33 152.39 47.53 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.948 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.03 -160.39 26.56 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -72.21 138.4 47.52 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.91 -38.2 84.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.212 0.53 . . . . 0.0 110.518 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -66.92 -32.71 74.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -114.92 146.05 41.56 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 tp -105.1 131.45 52.58 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.347 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.3 t -102.98 148.86 25.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.587 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 38.5 tttt -55.41 -36.89 66.93 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 118.906 -1.118 . . . . 0.0 109.978 -178.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -55.48 -40.64 71.95 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.552 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.6 mt-10 -66.18 -37.14 84.91 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.37 -46.65 85.53 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.68 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.498 ' CE ' ' NZ ' ' B' ' 30' ' ' LYS . 98.0 mttt -59.73 -44.11 93.89 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 118.092 -1.443 . . . . 0.0 110.297 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -65.82 -37.25 85.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.021 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.7 -44.32 94.0 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -69.72 -42.59 73.8 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.687 179.193 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.78 -43.36 96.6 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.886 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -71.51 -44.23 65.02 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.578 ' OE2' ' CD2' ' B' ' 18' ' ' HIS . 96.3 mt-10 -75.66 -33.27 60.42 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -177.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.551 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.8 tp -101.03 126.71 47.73 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 119.612 -0.835 . . . . 0.0 112.478 -176.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.551 ' C ' ' H ' ' B' ' 44' ' ' PHE . 86.9 p -60.45 -26.72 66.96 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.344 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.573 ' O ' ' N ' ' B' ' 47' ' ' ALA . . . -47.92 -13.39 0.19 Allowed Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.551 ' H ' ' C ' ' B' ' 42' ' ' SER . 88.5 t80 -50.69 -40.1 53.02 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 120.641 -0.423 . . . . 0.0 111.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.7 -41.42 81.64 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.133 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -107.6 4.95 26.47 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' B' ' 43' ' ' GLY . . . -64.15 -29.18 70.31 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -178.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.55 ' C ' ' O ' ' B' ' 47' ' ' ALA . 93.2 mt-30 -7.64 -97.99 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 41.6 pttt -57.79 -35.28 70.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.75 -29.4 53.77 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.056 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' B' ' 48' ' ' GLN . 13.9 m -54.37 -34.86 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.379 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 52.0 p30 -59.8 -33.17 71.38 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.457 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.669 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.01 -26.96 61.16 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.747 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -55.42 -40.37 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.014 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.587 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 89.3 m-20 -63.34 -42.51 98.95 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 119.465 -0.894 . . . . 0.0 111.156 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.96 -41.35 97.6 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 16.2 m -73.59 -34.05 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.36 -38.38 77.13 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.746 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.71 -44.82 96.19 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.945 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -68.25 -43.52 77.68 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.0 -37.59 84.47 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.541 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 45.8 t0 -87.88 104.98 17.11 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.835 -0.746 . . . . 0.0 111.486 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 60.8 mp0 -68.51 -35.5 77.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.452 0.644 . . . . 0.0 109.604 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -59.19 -38.77 80.65 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.117 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.26 6.97 88.96 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.659 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.0 p30 -63.16 -33.74 76.13 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 114.125 -1.038 . . . . 0.0 113.076 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.659 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.75 -5.42 66.73 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.502 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 96.0 mt-10 -112.2 154.4 25.61 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 19.5 m -124.61 150.25 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.965 0.888 . . . . 0.0 112.373 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -104.64 163.72 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 113.892 -1.504 . . . . 0.0 108.525 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -51.51 -41.08 60.75 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.666 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -58.74 -41.69 87.07 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.221 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -68.73 -39.01 80.59 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 119.596 -0.841 . . . . 0.0 110.394 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -63.13 -44.63 95.04 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 4.0 p -59.5 -39.17 78.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.644 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 34.3 m -75.19 -32.99 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.456 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 tt -59.25 -42.77 91.89 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.796 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 m -73.55 -32.25 35.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 121.252 0.548 . . . . 0.0 111.228 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.12 85.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.389 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.32 95.58 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.976 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.2 mt -64.67 -35.76 82.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.324 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 56.7 m -52.95 -37.16 60.77 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.727 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.14 -35.65 58.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.291 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.67 -37.18 80.74 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.749 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -59.38 -38.44 80.51 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.61 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -58.26 -44.2 88.25 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.112 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -63.01 -41.24 99.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.216 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.595 ' CZ ' ' OE2' ' B' ' 91' ' ' GLU . 67.6 t80 -60.75 -43.82 97.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.732 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -54.23 -37.01 64.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.315 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -52.53 -31.05 33.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.364 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . 0.595 ' OE2' ' CZ ' ' B' ' 88' ' ' PHE . 15.9 pt-20 -58.91 -29.09 66.8 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.288 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -56.15 -34.37 66.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.571 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.6 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.235 0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.53 -36.28 78.03 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.934 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.12 -42.84 95.62 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.82 -41.85 91.34 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.769 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.1 m -61.89 -42.71 99.39 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.57 -39.46 84.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.557 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.2 ttm -60.26 -43.64 96.0 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.879 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.34 -31.53 67.66 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.243 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.5 m -56.3 -37.36 69.78 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.032 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 mt -62.3 -41.89 98.9 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 118.863 -1.135 . . . . 0.0 110.135 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.465 HG23 HD13 ' A' ' 12' ' ' ILE . 74.5 mt -66.39 -41.59 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.078 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -59.92 -44.0 94.56 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.671 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.506 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 24.3 m -74.71 -39.85 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -62.97 -49.77 73.4 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.254 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -64.7 -47.66 77.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.51 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.83 61.87 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 119.995 -0.682 . . . . 0.0 111.653 -178.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.506 ' ND1' ' O ' ' A' ' 14' ' ' VAL . 77.4 m80 -61.92 -46.2 90.36 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.262 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 t -61.41 -41.46 97.18 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.08 0.467 . . . . 0.0 110.859 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.575 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . . . -63.13 -39.33 97.85 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.966 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -59.96 -42.57 94.37 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.503 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.2 mt-10 -129.59 148.97 51.54 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.855 -179.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.29 -164.92 53.75 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.41 136.81 49.9 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' NZ ' ' O ' ' A' ' 20' ' ' GLY . 59.9 mmtt -61.04 -40.96 95.6 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.418 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -69.44 -33.1 72.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -117.77 151.85 36.48 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.2 tp -101.11 134.67 43.77 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.633 178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -103.32 150.66 23.55 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.568 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 68.1 tttt -56.73 -36.96 70.34 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.381 -0.927 . . . . 0.0 110.421 -178.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.61 -41.29 73.24 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 118.77 -1.172 . . . . 0.0 107.941 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.503 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 47.7 mt-10 -67.2 -37.69 84.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 120.161 -0.616 . . . . 0.0 109.932 177.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.7 tp -64.59 -48.14 76.06 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.531 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -60.95 -45.86 93.04 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.913 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.85 -39.14 93.09 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.283 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.475 ' CD1' ' CG ' ' A' ' 18' ' ' HIS . 34.1 tp -63.99 -47.1 81.66 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.43 -0.508 . . . . 0.0 112.121 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -70.45 -41.48 72.77 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.816 179.552 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.94 -43.02 97.13 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.744 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.5 m -71.38 -44.16 65.51 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -75.74 -32.65 60.09 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -177.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.521 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 17.3 tp -99.53 126.39 45.48 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 119.78 -0.768 . . . . 0.0 112.725 -176.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.501 ' C ' ' H ' ' A' ' 44' ' ' PHE . 22.8 t -57.78 -31.38 66.48 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.77 178.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.521 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -46.26 -14.97 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.501 ' H ' ' C ' ' A' ' 42' ' ' SER . 87.2 t80 -51.18 -39.34 56.2 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.049 -0.661 . . . . 0.0 111.51 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.11 -39.97 76.12 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.638 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.52 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 43.9 p30 -97.01 10.51 39.05 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.557 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -60.01 -37.63 80.28 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.732 -178.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.557 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.9 mt-30 22.14 -145.0 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.598 0.561 . . . . 0.0 111.872 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -59.42 -26.91 65.56 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.083 0.468 . . . . 0.0 109.805 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -54.57 -33.14 59.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.924 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.511 ' N ' ' O ' ' A' ' 47' ' ' ALA . 6.4 p -53.13 -31.29 17.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.494 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -54.98 -35.87 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.729 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.62 -27.55 58.5 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.034 0.445 . . . . 0.0 109.858 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.427 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 5.1 p -51.89 -37.5 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.568 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 88.5 m-20 -65.23 -41.57 94.27 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.411 178.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -62.67 -39.84 95.19 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.7 m -70.76 -30.73 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.049 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.7 mmm -56.68 -38.71 72.6 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.32 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.26 -44.5 97.14 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.881 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -67.74 -43.32 80.22 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.288 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.15 -36.77 82.54 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.52 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 47.9 t0 -85.71 103.9 14.93 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.169 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.01 -35.47 78.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.44 0.638 . . . . 0.0 109.527 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -59.1 -38.75 80.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.599 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.49 4.85 90.09 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 107.849 -2.1 . . . . 0.0 107.849 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.5 p30 -63.74 -33.27 75.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.123 -1.038 . . . . 0.0 112.522 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.32 -2.99 63.58 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -109.1 152.45 25.05 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 t -108.15 133.44 53.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.641 0.734 . . . . 0.0 112.141 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -100.01 159.98 14.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.37 -1.286 . . . . 0.0 107.951 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -51.77 -42.34 62.32 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.095 -1.042 . . . . 0.0 110.001 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.28 -41.52 89.09 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.604 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -68.78 -39.03 80.41 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.321 0.581 . . . . 0.0 110.82 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -63.85 -45.51 89.17 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 p -60.22 -39.7 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.562 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.1 m -74.54 -33.29 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.694 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.11 -42.1 94.03 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.045 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.3 m -73.03 -31.77 36.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 120.369 -0.533 . . . . 0.0 111.52 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.86 -37.6 82.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.71 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.86 -43.8 91.79 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.597 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 mp -65.84 -35.09 79.7 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 120.877 0.37 . . . . 0.0 110.368 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.5 m -52.13 -38.63 58.1 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.83 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.81 -35.75 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.595 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.89 94.88 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.15 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 47.9 ttp -60.14 -38.03 81.86 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 119.362 -0.935 . . . . 0.0 108.79 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.72 -42.39 88.6 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.791 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.36 -42.52 98.84 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -60.99 -40.35 93.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.344 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -53.48 -38.98 64.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.903 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -53.92 -34.89 60.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.094 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.19 -33.04 67.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.226 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -102.99 136.79 42.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.409 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.555 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -109.8 147.93 32.39 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.36 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.53 -36.26 77.99 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.9 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.18 -42.8 95.76 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.8 -41.79 91.5 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.837 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -61.8 -42.86 99.54 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.815 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.38 85.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.61 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 47.2 ttm -60.35 -43.62 96.3 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.877 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.37 -31.52 67.72 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.247 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.5 m -56.29 -37.27 69.64 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.101 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 mt -62.4 -41.84 98.98 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.129 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.426 HD13 HG23 ' B' ' 12' ' ' ILE . 74.3 mt -66.53 -41.48 88.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.039 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.01 -43.91 94.92 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.657 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.514 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 24.6 m -74.71 -39.88 46.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -62.95 -49.79 73.37 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.264 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -64.63 -47.77 77.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.54 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.41 -50.93 61.77 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 120.02 -0.672 . . . . 0.0 111.697 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' B' ' 14' ' ' VAL . 77.4 m80 -61.85 -46.25 90.26 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.331 -0.547 . . . . 0.0 111.289 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.6 t -61.37 -41.33 96.92 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.579 ' O ' ' NZ ' ' B' ' 25' ' ' LYS . . . -63.23 -39.27 97.7 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.944 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -59.97 -42.66 94.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.498 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.2 mt-10 -129.51 148.99 51.47 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.808 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.37 -164.99 53.73 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.36 136.72 49.93 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.579 ' NZ ' ' O ' ' B' ' 20' ' ' GLY . 60.0 mmtt -60.91 -41.11 95.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.11 0.481 . . . . 0.0 110.338 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -69.39 -33.13 72.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -117.63 151.78 36.51 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -177.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.6 tp -101.07 134.71 43.67 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 114.488 -1.233 . . . . 0.0 109.699 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -103.35 150.6 23.64 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.575 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 68.0 tttt -56.62 -37.0 70.09 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.485 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.53 -41.4 73.14 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 118.846 -1.141 . . . . 0.0 107.961 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.498 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 47.8 mt-10 -67.16 -37.68 84.18 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.965 177.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.63 -48.25 75.53 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.451 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -60.8 -45.97 92.32 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.945 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.74 -39.07 93.02 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.332 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.472 ' CD1' ' CG ' ' B' ' 18' ' ' HIS . 34.2 tp -64.11 -47.04 81.53 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.472 -0.491 . . . . 0.0 112.071 -178.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.9 OUTLIER -70.45 -41.61 72.59 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.723 179.599 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.89 -43.04 97.19 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 119.712 -0.795 . . . . 0.0 111.783 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.7 m -71.36 -44.18 65.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -75.75 -32.61 60.06 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.515 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 17.2 tp -99.56 126.38 45.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 119.763 -0.775 . . . . 0.0 112.692 -176.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.5 ' C ' ' H ' ' B' ' 44' ' ' PHE . 22.7 t -57.77 -31.42 66.5 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.756 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.515 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -46.15 -15.02 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.5 ' H ' ' C ' ' B' ' 42' ' ' SER . 87.4 t80 -51.13 -39.37 56.1 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.568 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.13 -39.9 76.07 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.607 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.515 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 43.9 p30 -97.15 10.54 39.13 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.556 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -60.03 -37.71 80.6 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.707 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.556 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.9 mt-30 22.14 -145.06 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.554 0.534 . . . . 0.0 111.907 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -59.41 -26.75 65.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.084 0.469 . . . . 0.0 109.87 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.7 -33.15 60.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.917 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' B' ' 47' ' ' ALA . 6.4 p -53.07 -31.32 17.33 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.489 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.04 -35.74 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.757 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.74 -27.35 59.15 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.136 0.494 . . . . 0.0 109.887 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.423 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 5.2 p -52.0 -37.59 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.575 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 87.9 m-20 -65.12 -41.51 94.79 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.51 178.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.81 -39.71 95.14 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 13.5 m -70.74 -30.95 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.966 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.7 mmm -56.62 -38.72 72.49 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.283 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.3 -44.5 97.11 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.746 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -67.72 -43.33 80.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.314 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.1 -36.86 82.86 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 47.9 t0 -85.72 103.95 14.98 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 119.822 -0.751 . . . . 0.0 111.205 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.98 -35.49 78.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.392 0.615 . . . . 0.0 109.539 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -59.12 -38.74 80.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.604 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.51 4.83 90.11 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.647 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 48.0 p30 -63.76 -33.2 75.14 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.205 -0.998 . . . . 0.0 112.465 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.647 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.33 -3.1 63.62 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.616 -0.993 . . . . 0.0 110.616 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -109.01 152.4 25.04 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 34.3 t -108.13 133.33 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 112.172 -177.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -99.9 159.95 14.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.022 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -51.72 -42.35 62.2 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.146 -1.021 . . . . 0.0 110.01 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.28 -41.51 89.07 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.604 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -68.86 -38.96 80.07 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.888 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -63.85 -45.56 88.95 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.5 p -60.11 -39.61 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.634 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 30.5 m -74.74 -33.28 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.572 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.01 -42.17 93.71 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 23.2 m -73.02 -31.73 36.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.54 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.78 83.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.732 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.82 92.09 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.618 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 mp -65.89 -35.01 79.46 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.342 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 70.5 m -52.19 -38.62 58.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.789 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.83 -35.76 66.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.573 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.84 94.75 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.366 -0.534 . . . . 0.0 111.041 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 48.0 ttp -60.14 -38.02 81.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 119.439 -0.904 . . . . 0.0 108.791 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.77 -42.46 88.99 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.728 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.25 -42.53 98.78 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.304 0.573 . . . . 0.0 109.463 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -60.98 -40.29 92.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.416 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -53.53 -39.08 64.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.812 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -53.71 -34.99 60.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.164 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.16 -33.0 66.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.284 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.02 136.79 42.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.443 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.667 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.49 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 29.5 t . . . . . 0 C--O 1.236 0.37 0 CA-C-O 120.952 0.405 . . . . 0.0 110.487 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.06 -37.46 71.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.761 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.0 tp -59.37 -42.69 92.18 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.376 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -66.38 -38.51 87.71 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.393 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 m -60.34 -43.02 96.83 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.172 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.31 83.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.045 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.1 ttm -60.14 -43.65 95.55 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -57.86 -31.11 66.37 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.262 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.0 m -56.0 -37.69 69.46 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.293 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.25 -42.44 99.18 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.186 -1.005 . . . . 0.0 110.818 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.572 ' CG2' ' CE1' ' A' ' 16' ' ' HIS . 74.7 mt -65.38 -43.68 94.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.952 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -60.41 -41.07 93.14 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.709 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.403 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 29.9 m -73.22 -38.02 53.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.404 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -60.59 -48.79 80.2 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.651 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.572 ' CE1' ' CG2' ' A' ' 12' ' ' ILE . 54.7 m170 -62.38 -46.05 90.39 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.196 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.59 -48.54 74.57 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.785 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.403 ' ND1' ' O ' ' A' ' 14' ' ' VAL . 72.9 m80 -62.58 -47.38 84.06 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.214 -0.595 . . . . 0.0 111.67 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 22' ' ' GLU . 22.9 t -61.26 -41.0 96.17 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.973 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.28 96.21 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.42 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.05 -41.17 87.24 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.48 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.6 mt-10 -125.4 149.33 48.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 111.19 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.76 -162.05 3.4 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -73.14 135.67 44.73 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.01 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -60.03 -39.0 84.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.08 0.466 . . . . 0.0 110.869 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -64.87 -32.01 73.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.368 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -114.82 141.47 47.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.311 0.577 . . . . 0.0 111.912 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -110.7 132.88 53.81 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.447 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.9 m -104.09 150.96 23.83 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 25.7 tttm -56.07 -35.73 67.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 118.644 -1.222 . . . . 0.0 109.371 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.54 -40.85 72.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.48 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.3 mt-10 -66.32 -37.52 85.56 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.0 tp -62.42 -44.22 96.95 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.052 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HE2' ' HZ3' ' A' ' 30' ' ' LYS . 77.3 mttt -59.91 -42.59 94.24 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.218 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.23 -40.49 94.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.339 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.92 -43.49 92.64 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.024 -179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -68.48 -43.5 76.79 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 120.491 -0.483 . . . . 0.0 112.161 -179.819 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.57 -43.66 93.18 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.952 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.1 m -71.73 -47.04 56.49 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.492 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.6 mm-40 -76.89 -33.82 57.78 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -177.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.486 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 12.2 tp -103.0 138.81 39.38 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.576 0.703 . . . . 0.0 112.751 -176.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.621 ' O ' ' N ' ' A' ' 44' ' ' PHE . 26.5 m -51.35 -27.0 8.58 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.568 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -43.51 -10.27 0.01 OUTLIER Glycine 0 CA--C 1.524 0.609 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.472 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 42' ' ' SER . 60.4 t80 -45.59 -37.57 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.8 -35.92 69.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.732 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.568 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 33.1 p30 -83.64 11.35 7.39 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.922 0.391 . . . . 0.0 110.686 -179.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.505 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -58.16 -25.01 60.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.529 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.505 ' O ' ' O ' ' A' ' 47' ' ' ALA . 94.5 mm-40 -54.88 -152.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.992 0.425 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -56.43 -27.92 58.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.774 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.92 -35.03 63.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.912 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.419 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 5.6 p -53.7 -29.55 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.698 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.65 -34.95 60.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.71 -28.71 61.43 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.387 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.433 ' O ' HG11 ' A' ' 57' ' ' VAL . 4.8 p -55.34 -34.67 34.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.142 0.496 . . . . 0.0 109.838 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -64.6 -43.16 94.7 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.939 -0.705 . . . . 0.0 112.089 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -69.37 -45.97 68.08 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.476 0.655 . . . . 0.0 112.072 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.433 HG11 ' O ' ' A' ' 54' ' ' VAL . 3.0 p -63.87 -32.13 55.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.637 -178.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.421 ' SD ' ' HD2' ' A' ' 30' ' ' LYS . 17.8 ttt -55.77 -38.39 69.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.441 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -59.16 -40.76 86.57 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.742 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.73 -39.55 88.03 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.203 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.1 mt -67.59 -37.31 82.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.852 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.499 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 64.9 t0 -85.92 107.44 17.72 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.243 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.84 -35.88 81.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.162 0.506 . . . . 0.0 110.004 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -59.09 -38.77 80.31 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.191 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.79 14.03 81.81 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 108.742 -1.743 . . . . 0.0 108.742 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.5 p30 -90.09 2.53 55.15 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.26 9.56 60.97 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -105.22 143.22 33.69 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.5 t -108.98 130.36 62.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-O 121.763 0.792 . . . . 0.0 111.488 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -110.63 160.85 16.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.754 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -53.28 -41.77 65.91 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.641 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.39 -40.81 87.75 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.05 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.499 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 92.7 mt-10 -67.46 -38.35 84.31 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.712 -0.795 . . . . 0.0 109.812 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -63.11 -44.3 96.04 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.249 -0.887 . . . . 0.0 113.322 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 76' ' ' VAL . 2.8 p -59.77 -38.88 78.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 119.764 -0.775 . . . . 0.0 110.655 -178.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.412 ' N ' HG13 ' A' ' 75' ' ' VAL . 30.7 m -75.66 -34.23 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.861 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.2 -42.09 94.37 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.179 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.1 m -73.25 -33.47 41.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 120.219 -0.593 . . . . 0.0 111.133 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.89 90.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.225 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.18 -42.82 93.26 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.312 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.7 mt -64.57 -36.67 84.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.608 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.0 m -53.22 -37.86 62.39 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.804 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 85.8 t -60.07 -35.27 60.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.215 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.12 -34.36 76.2 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.772 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.7 ttp -58.6 -38.17 77.41 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.378 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -57.93 -42.73 85.45 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -62.42 -40.94 98.18 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 113.794 -1.548 . . . . 0.0 110.172 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.56 -41.14 93.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.401 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -53.11 -39.53 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.892 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.8 -34.85 63.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.701 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.25 -32.72 72.53 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.66 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -100.05 120.0 39.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.538 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.58 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.627 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.492 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 29.0 t -107.41 142.41 37.28 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.993 0.425 . . . . 0.0 110.52 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.07 -37.45 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.818 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 tp -59.39 -42.59 92.07 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.503 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -66.37 -38.56 87.84 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.35 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.4 m -60.14 -43.19 95.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.22 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.4 83.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.999 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 47.2 ttm -60.15 -43.67 95.58 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.381 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -57.83 -31.08 66.28 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.32 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.1 m -56.12 -37.65 69.71 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.237 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.2 -42.47 99.31 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 119.16 -1.016 . . . . 0.0 110.828 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.578 ' CG2' ' CE1' ' B' ' 16' ' ' HIS . 74.5 mt -65.33 -43.66 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.052 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.53 -40.99 93.48 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.595 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 30.2 m -73.24 -38.07 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.424 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.49 -48.86 79.93 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.703 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.578 ' CE1' ' CG2' ' B' ' 12' ' ' ILE . 54.6 m170 -62.27 -46.11 90.27 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.264 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.57 -48.43 75.02 Favored 'General case' 0 C--N 1.334 -0.097 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.869 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -62.73 -47.27 84.31 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.636 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.473 ' O ' ' O ' ' B' ' 22' ' ' GLU . 22.9 t -61.38 -40.96 96.27 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.989 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.18 -38.32 96.32 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.44 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.08 -41.14 87.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.495 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.6 mt-10 -125.37 149.24 48.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 111.233 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.86 -162.04 3.52 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.36 135.8 44.33 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.556 -0.457 . . . . 0.0 109.976 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -60.01 -39.04 84.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.038 0.447 . . . . 0.0 110.861 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -64.93 -31.97 73.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.332 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -114.76 141.44 47.85 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.317 0.58 . . . . 0.0 111.978 -178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -110.77 132.82 53.87 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.439 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.7 m -104.09 151.04 23.75 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.412 ' HD2' ' SD ' ' B' ' 58' ' ' MET . 25.7 tttm -56.11 -35.78 67.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 118.655 -1.218 . . . . 0.0 109.279 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.49 -40.91 72.29 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.495 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.4 mt-10 -66.28 -37.49 85.56 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.45 -44.21 96.95 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.108 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.405 ' HE2' ' HZ3' ' B' ' 30' ' ' LYS . 77.3 mttt -59.85 -42.65 94.08 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 119.025 -1.07 . . . . 0.0 110.26 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.17 -40.51 94.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.338 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.89 -43.55 92.55 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.201 -0.599 . . . . 0.0 111.072 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.444 ' N ' HD23 ' B' ' 37' ' ' LEU . 0.5 OUTLIER -68.43 -43.46 77.07 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 120.502 -0.479 . . . . 0.0 112.207 -179.867 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.57 -43.67 93.13 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.052 -1.059 . . . . 0.0 111.995 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -71.77 -46.94 56.73 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.49 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 77.6 mm-40 -76.97 -33.77 57.61 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.48 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 12.2 tp -103.04 138.87 39.33 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.572 0.701 . . . . 0.0 112.734 -176.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.623 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.5 m -51.33 -27.01 8.52 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.555 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -43.46 -10.35 0.01 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.623 ' N ' ' O ' ' B' ' 42' ' ' SER . 60.3 t80 -45.58 -37.59 5.66 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.73 -35.99 69.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.783 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.555 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 33.2 p30 -83.63 11.49 7.16 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.926 0.393 . . . . 0.0 110.697 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -58.17 -25.03 61.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.54 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.501 ' O ' ' O ' ' B' ' 47' ' ' ALA . 94.5 mm-40 -54.89 -152.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.967 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -56.42 -27.99 58.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.696 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.91 -35.05 63.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.969 0.414 . . . . 0.0 109.886 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 5.6 p -53.81 -29.39 17.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.682 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.72 -34.94 60.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.74 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.72 -28.8 61.65 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.337 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.434 ' O ' HG11 ' B' ' 57' ' ' VAL . 4.8 p -55.33 -34.6 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.88 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -64.55 -43.24 94.58 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.979 -0.688 . . . . 0.0 112.069 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -69.29 -45.98 68.3 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.531 0.681 . . . . 0.0 112.124 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.434 HG11 ' O ' ' B' ' 54' ' ' VAL . 3.0 p -63.9 -32.15 55.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.628 -178.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.412 ' SD ' ' HD2' ' B' ' 30' ' ' LYS . 17.9 ttt -55.73 -38.32 69.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.437 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -59.14 -40.85 86.8 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.748 -178.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.68 -39.66 88.22 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 67.2 mt -67.51 -37.36 82.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.855 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.496 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 65.0 t0 -85.98 107.51 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.227 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.01 -35.78 80.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.978 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -59.02 -38.78 80.09 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.227 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.71 14.14 81.6 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 108.739 -1.745 . . . . 0.0 108.739 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -90.1 2.47 55.23 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.29 9.53 61.01 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -105.12 143.16 33.68 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.0 130.32 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-O 121.693 0.759 . . . . 0.0 111.586 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -110.66 160.8 16.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.432 -1.258 . . . . 0.0 108.695 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -53.13 -41.87 65.49 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.22 -0.992 . . . . 0.0 109.612 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.41 -40.82 87.86 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.052 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.496 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 92.8 mt-10 -67.38 -38.45 84.73 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.807 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -63.13 -44.32 95.91 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.249 -0.887 . . . . 0.0 113.298 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.414 HG13 ' N ' ' B' ' 76' ' ' VAL . 2.7 p -59.73 -38.85 77.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.693 -178.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.414 ' N ' HG13 ' B' ' 75' ' ' VAL . 30.9 m -75.67 -34.2 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.918 178.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.24 -42.08 94.51 Favored 'General case' 0 C--O 1.23 0.055 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 23.2 m -73.25 -33.4 41.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.185 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.32 -38.77 90.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.196 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.16 -42.87 93.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.309 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.3 mt -64.54 -36.67 84.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.553 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.6 m -53.16 -38.02 62.39 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.727 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 83.4 t -59.87 -35.38 60.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.279 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.42 76.23 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.847 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 4.7 ttp -58.58 -38.19 77.38 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 119.821 -0.751 . . . . 0.0 110.334 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -57.84 -42.88 85.32 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -62.41 -40.9 98.03 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.216 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.61 -41.12 94.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.387 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -53.12 -39.46 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.948 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.85 -34.78 63.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.738 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.38 -32.62 72.54 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.624 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.09 120.03 39.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.532 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.56 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.528 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 46.6 t . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.76 0.314 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -61.87 -37.37 84.3 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -61.64 -41.43 97.5 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.988 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.27 -40.97 94.61 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.445 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.5 m -62.04 -43.19 99.38 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.777 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.75 85.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.309 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.2 ttp -61.44 -43.34 99.04 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.326 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.37 -31.37 67.58 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.066 0.46 . . . . 0.0 110.134 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.3 m -56.39 -35.87 68.24 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.83 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.5 mt -60.3 -41.38 93.3 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 118.94 -1.104 . . . . 0.0 110.959 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.42 HD13 HG21 ' A' ' 12' ' ' ILE . 77.2 mt -63.98 -47.22 91.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.034 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -60.17 -43.03 96.15 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.422 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 26.5 m -71.72 -35.9 57.13 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 C-N-CA 119.946 -0.702 . . . . 0.0 110.259 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.41 ' O ' ' OG ' ' A' ' 19' ' ' SER . 66.0 t80 -60.1 -49.83 76.08 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.729 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -63.8 -47.09 82.26 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.3 -51.58 55.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 120.019 -0.672 . . . . 0.0 112.087 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.439 ' CD2' ' CD1' ' A' ' 36' ' ' LEU . 75.5 m80 -62.23 -46.99 86.39 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.292 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 19.7 m -61.59 -38.86 89.1 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.122 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.52 -38.19 95.95 Favored Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -59.6 -40.05 86.23 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -126.22 155.69 41.43 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -177.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.22 -136.92 48.03 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-N 114.495 -1.23 . . . . 0.0 112.857 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.507 ' O ' ' O ' ' A' ' 27' ' ' LYS . 60.3 t0 -82.85 119.8 24.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -59.35 -38.42 80.34 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.474 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -67.29 -33.04 74.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.426 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.507 ' O ' ' O ' ' A' ' 24' ' ' ASP . 97.0 mttt -121.27 150.89 40.71 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.639 0.733 . . . . 0.0 112.954 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.5 tp -101.48 131.6 47.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.7 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -103.9 151.37 23.22 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.882 0.372 . . . . 0.0 110.013 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.687 ' NZ ' ' SD ' ' A' ' 58' ' ' MET . 38.3 tttt -57.33 -37.84 73.16 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.094 -178.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -56.29 -41.57 76.13 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.552 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.4 mt-10 -66.57 -37.12 84.26 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.076 177.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.1 tp -64.98 -46.66 80.55 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -60.16 -47.79 84.44 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 118.629 -1.228 . . . . 0.0 109.76 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.457 ' O ' ' OG1' ' A' ' 39' ' ' THR . 84.4 tt0 -62.82 -39.98 95.97 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.005 -1.452 . . . . 0.0 111.686 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' CD1' ' CD2' ' A' ' 18' ' ' HIS . 39.7 tp -65.61 -47.93 74.0 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.453 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.566 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -69.89 -43.98 70.65 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 119.558 -0.857 . . . . 0.0 111.841 -179.687 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -65.46 -41.67 93.15 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.85 -0.74 . . . . 0.0 111.414 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 48.5 m -69.47 -44.38 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.526 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 76.0 mm-40 -76.26 -33.84 59.16 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.0 mt -100.04 150.8 22.07 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.608 ' O ' ' N ' ' A' ' 44' ' ' PHE . 26.3 m -53.61 -28.0 30.0 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 113.837 -1.528 . . . . 0.0 108.078 178.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -44.91 -8.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.606 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.508 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.608 ' N ' ' O ' ' A' ' 42' ' ' SER . 66.7 t80 -48.47 -37.77 18.21 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -55.4 -35.8 65.73 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 48' ' ' GLN . 52.5 t0 -54.37 -31.29 54.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.562 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -32.87 -23.08 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.901 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.658 ' N ' ' O ' ' A' ' 46' ' ' ASP . 94.1 mt-30 -51.5 -174.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -56.37 -28.63 59.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.381 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.27 -34.19 63.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.18 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.405 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 5.1 p -52.18 -27.17 9.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.944 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -53.0 -35.38 59.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.682 0.277 . . . . 0.0 111.017 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.26 -28.23 62.78 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.053 0.454 . . . . 0.0 110.175 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 4.6 p -53.12 -36.76 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.407 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 88.8 m-20 -65.27 -42.57 93.09 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.034 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -63.1 -41.17 99.33 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.5 m -73.76 -29.32 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.687 ' SD ' ' NZ ' ' A' ' 30' ' ' LYS . 16.6 ttt -54.62 -38.26 66.6 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.014 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -59.01 -39.98 83.51 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.532 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.36 -39.78 89.36 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 73.7 mt -67.69 -37.89 82.93 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.737 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.513 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 57.0 t0 -87.37 103.74 15.77 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.17 -179.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.6 -34.74 76.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.289 0.566 . . . . 0.0 110.358 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -57.9 -38.98 76.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.342 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.12 5.7 81.37 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 107.785 -2.126 . . . . 0.0 107.785 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.8 p30 -63.4 -33.33 75.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.043 -1.079 . . . . 0.0 113.017 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.653 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.14 -1.99 63.24 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -109.81 153.72 24.0 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -106.98 132.91 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 0.0 111.432 -178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 56.8 t0 -102.86 155.29 18.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.054 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.481 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 80.1 t80 -51.82 -41.56 61.86 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.129 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -58.69 -40.5 83.81 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.869 -0.732 . . . . 0.0 110.206 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.498 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 95.0 mt-10 -67.4 -38.48 84.72 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.67 0.747 . . . . 0.0 109.852 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -62.94 -44.78 95.14 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.148 -0.933 . . . . 0.0 113.208 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 76' ' ' VAL . 2.6 p -60.32 -39.73 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.81 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.408 ' N ' HG12 ' A' ' 75' ' ' VAL . 31.1 m -74.73 -33.35 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.482 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.44 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 15.2 tp -57.64 -45.54 85.32 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.924 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.44 -32.71 43.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.743 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.71 -37.88 85.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.368 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.75 -44.75 84.95 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.178 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.44 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 6.2 mp -65.62 -35.77 81.78 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.656 179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.6 m -52.8 -38.24 60.95 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.391 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.94 -34.87 61.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.633 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.47 84.48 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.635 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.3 ttt -59.84 -39.14 84.12 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.453 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -57.79 -42.58 84.44 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.389 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.64 -41.61 97.74 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.504 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.28 -41.34 93.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.649 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -53.79 -39.53 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.925 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -54.47 -34.76 62.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.237 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -57.48 -33.22 67.77 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.504 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -103.25 136.86 42.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.499 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.568 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.743 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.526 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 46.7 t -107.56 139.95 41.31 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.711 0.291 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -61.74 -37.54 84.6 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -61.53 -41.51 97.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.012 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.21 -41.06 94.85 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.385 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.9 m -61.97 -43.23 99.27 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.703 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.74 85.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.213 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 65.2 ttp -61.4 -43.33 99.05 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.41 -31.3 67.58 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.022 0.439 . . . . 0.0 110.127 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -56.5 -35.89 68.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.75 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.4 mt -60.31 -41.33 93.24 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 118.897 -1.121 . . . . 0.0 111.005 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.431 HG21 HD13 ' B' ' 12' ' ' ILE . 77.4 mt -63.96 -47.24 91.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.027 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -60.16 -42.98 96.07 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.427 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 26.5 m -71.79 -35.88 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.244 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.416 ' O ' ' OG ' ' B' ' 19' ' ' SER . 66.1 t80 -60.07 -49.82 76.13 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 119.399 -0.921 . . . . 0.0 109.752 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -63.68 -47.23 82.03 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.3 -51.46 57.17 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 119.963 -0.695 . . . . 0.0 112.152 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.448 ' CD2' ' CD1' ' B' ' 36' ' ' LEU . 75.5 m80 -62.27 -47.03 86.16 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.259 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 19.7 m -61.66 -38.8 89.09 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.117 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.54 -38.25 96.05 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 115.054 -0.976 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -59.61 -39.98 85.99 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.547 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -126.27 155.71 41.47 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.17 -136.93 47.91 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 114.441 -1.254 . . . . 0.0 112.794 177.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.506 ' O ' ' O ' ' B' ' 27' ' ' LYS . 60.3 t0 -82.81 119.88 24.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -59.33 -38.39 80.23 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.572 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -67.29 -33.06 74.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.457 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.506 ' O ' ' O ' ' B' ' 24' ' ' ASP . 96.9 mttt -121.18 150.99 40.47 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -178.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -101.58 131.57 47.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.663 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -103.92 151.38 23.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.064 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.681 ' NZ ' ' SD ' ' B' ' 58' ' ' MET . 38.2 tttt -57.39 -37.79 73.23 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.074 -178.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -56.27 -41.57 76.04 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.547 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -66.55 -37.09 84.24 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.098 177.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.01 -46.77 80.01 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -60.11 -47.74 84.62 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 118.637 -1.225 . . . . 0.0 109.789 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.45 ' O ' ' OG1' ' B' ' 39' ' ' THR . 84.4 tt0 -62.9 -39.85 95.77 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.046 -1.434 . . . . 0.0 111.719 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.448 ' CD1' ' CD2' ' B' ' 18' ' ' HIS . 39.7 tp -65.81 -47.79 73.9 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.092 -0.643 . . . . 0.0 112.422 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.5 OUTLIER -69.91 -43.91 70.77 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 119.529 -0.869 . . . . 0.0 111.903 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -65.55 -41.63 92.78 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.756 -0.777 . . . . 0.0 111.395 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 48.7 m -69.48 -44.36 71.3 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.528 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 75.9 mm-40 -76.24 -33.9 59.19 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 72.5 mt -99.97 150.86 21.98 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.611 ' O ' ' N ' ' B' ' 44' ' ' PHE . 27.1 m -53.63 -28.04 30.56 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 113.889 -1.505 . . . . 0.0 108.037 178.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' B' ' 46' ' ' ASP . . . -44.87 -8.87 0.01 OUTLIER Glycine 0 CA--C 1.524 0.606 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.511 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.611 ' N ' ' O ' ' B' ' 42' ' ' SER . 66.8 t80 -48.57 -37.65 18.47 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 28.4 tp -55.48 -35.82 65.95 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' B' ' 48' ' ' GLN . 52.5 t0 -54.39 -31.24 54.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.54 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -32.88 -23.05 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.912 -178.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.651 ' N ' ' O ' ' B' ' 46' ' ' ASP . 94.0 mt-30 -51.48 -174.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -56.28 -28.67 59.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.866 0.365 . . . . 0.0 110.433 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.33 -34.17 63.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.169 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.41 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 5.0 p -52.08 -27.27 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.981 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -53.01 -35.34 59.29 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.048 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.17 -28.34 62.7 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.153 0.501 . . . . 0.0 110.215 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 4.5 p -53.02 -36.81 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.404 ' HA ' ' NZ ' ' B' ' 30' ' ' LYS . 88.7 m-20 -65.19 -42.69 93.36 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.981 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -63.01 -41.19 99.5 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 19.6 m -73.84 -29.3 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.681 ' SD ' ' NZ ' ' B' ' 30' ' ' LYS . 16.5 ttt -54.59 -38.24 66.5 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.068 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -59.0 -40.03 83.64 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.538 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.25 -39.92 89.84 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 73.3 mt -67.57 -37.95 83.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.733 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.499 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 57.2 t0 -87.42 103.81 15.85 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.181 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.63 -34.71 76.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.257 0.551 . . . . 0.0 110.324 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -57.92 -38.9 76.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.374 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.05 5.63 80.91 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 107.811 -2.116 . . . . 0.0 107.811 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.7 p30 -63.35 -33.37 75.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.004 -1.098 . . . . 0.0 113.037 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.645 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.1 -1.81 63.18 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.413 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 96.3 mt-10 -109.84 153.73 24.02 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -106.96 132.95 53.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.561 0.696 . . . . 0.0 111.474 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 56.8 t0 -102.86 155.29 18.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.008 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.472 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 80.4 t80 -51.69 -41.71 61.63 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.083 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -58.72 -40.41 83.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.209 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.495 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 95.0 mt-10 -67.45 -38.45 84.49 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.657 0.741 . . . . 0.0 109.896 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -62.98 -44.7 95.32 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.05 -0.977 . . . . 0.0 113.197 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.409 HG12 ' N ' ' B' ' 76' ' ' VAL . 2.5 p -60.41 -39.74 81.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.767 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.409 ' N ' HG12 ' B' ' 75' ' ' VAL . 31.1 m -74.74 -33.43 31.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 120.186 -0.605 . . . . 0.0 109.381 178.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.446 ' O ' ' CD1' ' B' ' 81' ' ' LEU . 15.1 tp -57.52 -45.61 84.79 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.973 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 m -72.43 -32.6 42.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.832 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.64 -37.97 85.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.329 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.82 -44.75 84.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.122 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.446 ' CD1' ' O ' ' B' ' 77' ' ' LEU . 6.2 mp -65.64 -35.81 81.87 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 120.499 -0.481 . . . . 0.0 110.549 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 64.3 m -52.74 -38.23 60.57 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.442 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 87.0 t -60.94 -34.92 61.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.67 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.46 84.41 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.675 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 25.3 ttt -59.78 -39.11 83.79 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.536 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -57.85 -42.53 84.62 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.304 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.75 -41.53 97.8 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.455 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.31 -41.29 93.16 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.684 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.85 -39.5 65.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.961 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -54.5 -34.72 62.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.208 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -57.48 -33.29 67.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.501 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -103.22 136.8 42.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.48 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.518 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 p . . . . . 0 C--O 1.234 0.284 0 CA-C-O 120.697 0.284 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.03 -36.9 80.75 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.446 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp -61.17 -42.58 98.81 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.946 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.41 -42.08 88.33 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.049 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.0 m -61.94 -43.33 99.07 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.096 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.26 -40.74 81.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.552 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.1 ttp -61.99 -42.02 98.67 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.64 -31.29 68.0 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 120.978 0.418 . . . . 0.0 110.217 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.0 m -56.16 -35.54 67.3 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.36 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.1 mt -59.21 -42.67 91.53 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.242 -0.983 . . . . 0.0 110.826 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.8 mt -65.66 -41.51 90.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.961 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -60.13 -41.23 92.22 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.433 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -74.72 -39.06 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 120.194 -0.603 . . . . 0.0 111.101 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -63.8 -50.83 67.42 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.568 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -64.31 -47.32 79.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.172 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.48 85.92 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 120.211 -0.595 . . . . 0.0 111.5 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.413 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 86.5 t60 -63.81 -48.19 77.82 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.497 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.8 t -61.07 -40.35 93.33 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.35 -39.2 97.52 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.669 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.73 -41.28 90.55 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.563 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -126.65 153.41 45.4 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.839 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.54 -162.64 33.26 Favored Glycine 0 C--N 1.332 0.321 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -71.66 136.31 47.25 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -61.1 -38.86 87.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.078 0.466 . . . . 0.0 110.841 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -67.57 -32.61 73.48 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -117.71 148.64 41.81 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -104.79 130.82 52.81 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.706 -1.134 . . . . 0.0 108.868 178.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.9 t -103.09 149.72 24.32 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.315 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -55.62 -36.76 67.33 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.145 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -55.58 -40.72 72.36 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.563 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.3 mt-10 -66.55 -38.84 87.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.6 -46.64 81.8 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -59.94 -47.09 87.2 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 119.299 -0.96 . . . . 0.0 111.524 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.6 -42.28 87.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.177 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.407 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 37.5 tp -65.46 -46.12 81.08 Favored 'General case' 0 CA--C 1.523 -0.094 0 C-N-CA 119.97 -0.692 . . . . 0.0 112.233 -178.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.554 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -70.01 -40.95 74.92 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.624 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' NE2' ' CB ' ' A' ' 47' ' ' ALA . 50.0 tt0 -64.12 -45.88 86.63 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 119.653 -0.819 . . . . 0.0 111.476 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.0 m -71.23 -43.63 66.94 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -74.57 -33.17 62.62 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.489 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.4 tp -100.39 142.7 31.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.194 0.521 . . . . 0.0 111.648 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.607 ' C ' ' H ' ' A' ' 44' ' ' PHE . 87.0 p -53.29 -23.91 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.567 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -45.43 -10.53 0.02 OUTLIER Glycine 0 CA--C 1.523 0.583 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 178.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.607 ' H ' ' C ' ' A' ' 42' ' ' SER . 55.3 t80 -46.48 -39.1 10.15 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.8 -31.52 70.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.281 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.567 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 33.1 p30 -81.49 12.25 3.89 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.045 0.45 . . . . 0.0 110.426 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -57.51 -23.04 47.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.509 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.501 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.8 mt-30 -55.37 -151.9 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -56.06 -28.13 56.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.013 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.97 -34.84 63.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.038 0.446 . . . . 0.0 110.063 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.401 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 5.9 p -52.96 -26.43 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.108 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -53.72 -35.29 61.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.864 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.01 -28.34 62.38 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.013 0.435 . . . . 0.0 110.156 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.401 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 4.4 p -52.89 -37.29 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -68.04 -39.42 83.08 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -65.89 -42.04 90.76 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.492 0.663 . . . . 0.0 111.865 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.99 -32.25 53.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.905 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.5 mmm -56.79 -36.13 69.51 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -58.21 -43.34 87.63 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.907 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.2 -38.12 84.82 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.36 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.443 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 81.5 mt -66.26 -37.03 84.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.049 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.479 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 98.5 m-20 -103.74 70.21 1.01 Allowed 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.96 -29.34 70.18 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -53.86 -36.73 62.93 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 114.072 -1.422 . . . . 0.0 109.916 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.03 1.03 73.39 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 108.417 -1.873 . . . . 0.0 108.417 -178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.69 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.1 p30 -62.86 -35.62 80.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.413 -0.894 . . . . 0.0 112.769 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.69 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 84.63 5.79 86.3 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.479 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 95.8 mt-10 -112.57 156.42 22.69 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.089 -0.555 . . . . 0.0 109.904 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.0 t -107.68 132.95 53.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.503 0.668 . . . . 0.0 111.606 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -102.65 158.57 16.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.292 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -52.79 -41.63 64.29 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.122 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.92 -40.84 81.39 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.232 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.474 ' OE1' ' OD1' ' A' ' 62' ' ' ASP . 94.3 mt-10 -67.46 -37.78 83.45 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.443 0.64 . . . . 0.0 110.313 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -63.53 -46.0 88.03 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 p -60.36 -39.58 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.138 0 C-N-CA 119.796 -0.762 . . . . 0.0 110.634 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 32.7 m -74.63 -32.97 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.485 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.9 tp -56.99 -45.36 83.01 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.248 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.54 -35.14 50.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.203 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.98 92.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.276 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.94 87.69 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.676 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.58 -36.31 83.83 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.706 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.0 m -52.97 -37.71 61.43 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.737 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.02 -35.59 62.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.432 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.75 94.31 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.393 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 47.3 ttp -57.98 -38.33 75.86 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.06 -40.13 84.22 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -59.71 -43.71 94.01 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.443 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -65.59 -34.95 79.43 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.119 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -54.03 -39.2 65.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.868 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -54.12 -34.42 60.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.203 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.03 -33.66 67.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.487 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -104.75 136.98 43.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.523 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.531 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -69.73 162.24 28.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.434 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.03 -36.94 80.86 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.393 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.17 -42.56 98.79 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.004 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.43 -41.95 88.43 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.081 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.5 m -62.09 -43.3 99.14 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.01 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.75 81.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.578 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.1 ttp -61.92 -42.04 98.64 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.59 -31.35 67.96 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 120.98 0.419 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.6 m -56.09 -35.47 67.05 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.412 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.3 mt -59.36 -42.62 92.0 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.233 -0.987 . . . . 0.0 110.766 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 73.8 mt -65.73 -41.42 90.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.962 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -60.1 -41.27 92.19 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.453 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.85 -39.03 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.999 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -63.65 -50.97 67.2 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.538 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -64.33 -47.27 80.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.106 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.36 86.01 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.551 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.413 ' CD2' ' HB2' ' B' ' 36' ' ' LEU . 86.5 t60 -63.82 -48.23 77.64 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.447 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.6 t -61.03 -40.38 93.38 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.901 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.36 -39.13 97.43 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.714 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.8 -41.22 90.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.563 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -126.71 153.49 45.39 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.852 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.43 -162.64 32.86 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.69 136.38 47.23 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -61.06 -38.86 87.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.178 0.514 . . . . 0.0 110.975 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -67.46 -32.68 73.7 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -117.75 148.53 41.95 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -104.71 130.83 52.7 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.93 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.0 t -103.14 149.74 24.33 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.794 0.33 . . . . 0.0 110.34 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -55.56 -36.8 67.21 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 119.04 -1.064 . . . . 0.0 110.192 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -55.45 -40.72 71.93 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 119.105 -1.038 . . . . 0.0 108.284 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.563 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -66.53 -38.91 88.2 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 177.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.53 -46.61 82.14 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -59.98 -47.01 87.56 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 119.266 -0.974 . . . . 0.0 111.603 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.7 -42.21 86.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.174 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.413 ' HB2' ' CD2' ' B' ' 18' ' ' HIS . 37.3 tp -65.37 -46.21 81.07 Favored 'General case' 0 CA--C 1.522 -0.121 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.268 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -70.01 -40.95 74.95 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.059 -0.657 . . . . 0.0 111.664 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.504 ' NE2' ' CB ' ' B' ' 47' ' ' ALA . 50.1 tt0 -64.1 -45.86 86.75 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.485 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.8 m -71.18 -43.67 67.0 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -74.55 -33.17 62.65 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.482 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.4 tp -100.4 142.8 31.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.302 0.572 . . . . 0.0 111.581 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.618 ' C ' ' H ' ' B' ' 44' ' ' PHE . 86.9 p -53.33 -23.97 10.68 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.582 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -45.36 -10.61 0.02 OUTLIER Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.618 ' H ' ' C ' ' B' ' 42' ' ' SER . 55.3 t80 -46.52 -39.04 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.84 -31.45 70.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.309 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.582 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 33.2 p30 -81.51 12.19 3.96 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.009 0.433 . . . . 0.0 110.393 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.504 ' CB ' ' NE2' ' B' ' 38' ' ' GLN . . . -57.51 -22.96 47.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.504 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.504 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.8 mt-30 -55.38 -151.81 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.634 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -56.16 -28.17 57.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.967 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.01 -34.69 63.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.973 0.416 . . . . 0.0 110.103 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 5.9 p -53.07 -26.35 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.107 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -53.67 -35.34 60.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.601 0.239 . . . . 0.0 110.807 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.14 -28.22 62.54 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 120.936 0.398 . . . . 0.0 110.13 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 4.4 p -52.87 -37.37 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.402 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 87.6 m-20 -67.96 -39.47 83.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -65.97 -42.03 90.4 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.434 0.635 . . . . 0.0 111.82 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.93 -32.21 53.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.924 -178.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 95.4 mmm -56.94 -36.02 69.76 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -58.22 -43.3 87.65 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.902 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.25 -38.14 84.65 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.489 -0.485 . . . . 0.0 111.361 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.448 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 81.5 mt -66.29 -36.94 84.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.058 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 98.5 m-20 -103.76 70.26 1.01 Allowed 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.1 -29.3 70.22 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -53.79 -36.81 62.84 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 114.041 -1.436 . . . . 0.0 109.955 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.09 1.09 73.14 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.687 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.2 p30 -62.93 -35.58 80.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.417 -0.892 . . . . 0.0 112.774 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.687 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 84.68 5.67 86.35 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 -178.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.493 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 95.8 mt-10 -112.57 156.38 22.76 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.07 -0.565 . . . . 0.0 109.927 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.0 t -107.72 133.02 53.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.548 0.69 . . . . 0.0 111.541 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -102.69 158.63 16.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.682 -1.145 . . . . 0.0 109.328 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -52.77 -41.67 64.28 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.074 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.92 -40.84 81.39 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.277 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.469 ' OE1' ' OD1' ' B' ' 62' ' ' ASP . 94.3 mt-10 -67.41 -37.79 83.61 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.486 0.66 . . . . 0.0 110.375 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -63.47 -45.94 88.47 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 p -60.43 -39.62 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 119.814 -0.755 . . . . 0.0 110.621 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 32.7 m -74.61 -32.94 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.543 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 13.0 tp -56.96 -45.44 82.84 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.279 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.45 -35.11 50.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.268 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.02 92.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.307 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.61 -44.04 87.76 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.658 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.9 mt -64.42 -36.4 84.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.733 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 57.1 m -52.92 -37.81 61.19 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.765 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.02 -35.59 62.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.411 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.85 94.36 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.369 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 47.3 ttp -58.01 -38.26 75.82 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.11 -40.11 84.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -59.78 -43.67 94.26 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.457 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -65.59 -34.95 79.43 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.136 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -54.02 -39.24 65.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.853 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -54.04 -34.46 60.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.23 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.03 -33.55 67.31 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.523 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -104.85 136.95 43.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.453 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 17.4 p . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.602 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.54 -42.62 99.1 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.264 -0.575 . . . . 0.0 110.558 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.46 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 38.7 tp -64.07 -39.85 94.98 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.99 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.509 ' OE2' ' O ' ' B' ' 40' ' ' GLU . 97.6 mt-10 -63.75 -39.37 94.12 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.036 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.2 m -64.76 -42.59 95.02 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.603 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.38 87.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.61 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.3 ttp -62.04 -41.11 97.77 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 120.547 -0.461 . . . . 0.0 112.054 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.77 -29.78 67.04 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.971 0.415 . . . . 0.0 109.998 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.3 m -54.59 -35.86 63.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.378 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.2 mt -59.08 -40.66 85.91 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 118.816 -1.154 . . . . 0.0 110.198 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.54 ' CG2' ' CE1' ' A' ' 16' ' ' HIS . 77.6 mt -63.87 -47.32 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.51 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.46 -41.68 97.6 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.542 -0.463 . . . . 0.0 112.219 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.439 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 19.8 m -71.93 -38.23 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.005 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -60.32 -47.49 85.79 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.836 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.54 ' CE1' ' CG2' ' A' ' 12' ' ' ILE . 57.5 m170 -61.76 -46.86 87.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.549 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.29 -47.67 75.82 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.159 -0.616 . . . . 0.0 112.022 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.439 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 89.9 m-70 -62.57 -47.52 83.49 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.696 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 22' ' ' GLU . 85.9 p -65.19 -35.65 81.75 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.263 -0.575 . . . . 0.0 111.202 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.02 -38.41 95.99 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.901 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.48 -41.04 88.88 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.4 mt-10 -124.1 152.59 42.56 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.963 0.411 . . . . 0.0 111.423 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.29 -163.37 0.14 Allowed Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.6 136.95 47.62 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.378 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.521 ' HZ2' ' C ' ' A' ' 16' ' ' HIS . 41.6 tttp -59.65 -37.84 79.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.475 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -65.12 -27.46 68.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.365 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -112.9 143.35 44.33 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.737 0.779 . . . . 0.0 112.257 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -103.95 124.4 48.92 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 114.535 -1.211 . . . . 0.0 107.907 179.232 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.441 ' N ' HD12 ' A' ' 28' ' ' LEU . 86.4 p -104.64 154.57 19.79 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.903 0.383 . . . . 0.0 110.575 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -57.41 -37.6 73.0 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.51 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -55.92 -41.29 74.34 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 118.685 -1.206 . . . . 0.0 108.523 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 98.6 mt-10 -66.52 -38.44 87.21 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 120.126 -0.629 . . . . 0.0 109.716 177.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.491 ' CD2' ' SD ' ' A' ' 58' ' ' MET . 23.5 tp -65.44 -49.17 70.16 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -60.75 -46.81 89.02 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.279 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.88 -38.47 86.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.638 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.41 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 9.9 tt -64.78 -44.23 90.69 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.382 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.47 ' N ' HD22 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -69.02 -43.4 74.85 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.954 179.12 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -63.32 -45.44 91.28 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.673 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.9 m -70.34 -42.38 71.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.496 ' O ' ' OE2' ' B' ' 5' ' ' GLU . 98.3 mt-10 -74.74 -33.64 62.38 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.5 mt -97.52 147.11 24.6 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.596 ' C ' ' H ' ' A' ' 44' ' ' PHE . 25.0 m -54.91 -29.56 56.37 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 113.52 -1.673 . . . . 0.0 109.131 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 47' ' ' ALA . . . -45.15 -11.29 0.02 OUTLIER Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.596 ' H ' ' C ' ' A' ' 42' ' ' SER . 53.9 t80 -50.09 -42.81 50.9 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.185 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.2 tp -61.11 -40.6 94.36 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -102.17 8.4 40.63 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' A' ' 43' ' ' GLY . . . -60.66 -30.79 70.11 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.52 ' O ' ' O ' ' A' ' 47' ' ' ALA . 92.9 mt-30 -31.21 -101.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 55.6 pttt -58.36 -34.74 71.0 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.303 0.573 . . . . 0.0 110.648 -178.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.07 -32.49 54.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.968 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' A' ' 47' ' ' ALA . 5.4 p -52.49 -34.62 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.886 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 52.9 p30 -59.54 -33.85 71.91 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.074 -0.651 . . . . 0.0 110.836 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.662 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -58.03 -27.47 63.6 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.668 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 4.3 p -54.18 -36.85 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.551 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.422 ' N ' HG12 ' A' ' 54' ' ' VAL . 88.8 m-20 -65.53 -42.73 91.66 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.793 179.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.47 -40.4 97.01 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.8 m -72.4 -32.82 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -177.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.491 ' SD ' ' CD2' ' A' ' 33' ' ' LEU . 92.3 mmm -57.54 -38.29 74.48 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.101 -0.64 . . . . 0.0 112.335 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.33 -46.05 91.87 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.001 -0.68 . . . . 0.0 112.044 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -70.08 -42.26 72.99 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 61' ' ' LEU . 7.0 mp -69.1 -36.83 78.0 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.556 ' OD1' ' OD1' ' A' ' 64' ' ' ASN . 53.2 t0 -85.36 109.49 18.44 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.944 -178.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.71 -37.6 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.619 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.556 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 38.3 p-10 -91.07 7.55 39.9 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' ASN . . . 36.84 26.64 0.01 OUTLIER Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.639 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 55.7 p30 -61.4 -32.2 72.13 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.639 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.56 -5.02 60.13 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.408 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 96.5 mt-10 -112.69 151.56 30.06 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.5 t -110.19 133.5 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.475 0.655 . . . . 0.0 110.8 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 56.9 t0 -98.76 152.93 19.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.977 -1.011 . . . . 0.0 108.801 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.447 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 76.3 t80 -50.98 -40.78 58.72 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.271 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.46 -41.03 84.28 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.941 -0.704 . . . . 0.0 110.14 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.27 -39.36 82.19 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.484 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.37 -45.33 91.66 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.8 p -60.04 -39.05 79.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.784 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.61 -32.89 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.797 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.6 tt -61.32 -41.32 96.82 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.366 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 m -72.28 -32.31 42.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.8 82.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.602 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.8 85.46 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.968 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.53 -35.43 80.22 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.715 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.0 m -53.04 -36.17 60.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.304 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.3 t -57.46 -36.89 54.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.085 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.25 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.075 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -56.04 -38.97 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.004 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -60.38 -42.71 96.42 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -63.45 -41.73 98.65 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.756 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -66.09 -35.47 80.61 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.596 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -53.51 -38.85 64.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.957 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.07 -35.11 61.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.439 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.51 -32.69 72.74 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.479 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -100.33 120.22 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.7 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.587 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.314 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -57.25 -36.97 71.63 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.211 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.63 -42.6 99.12 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.472 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.47 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 38.7 tp -64.12 -39.75 94.71 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 120.334 -0.547 . . . . 0.0 109.978 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.496 ' OE2' ' O ' ' A' ' 40' ' ' GLU . 97.6 mt-10 -63.83 -39.33 93.96 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.011 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.7 m -64.8 -42.54 94.95 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.641 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.94 -41.33 87.17 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.661 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 65.3 ttp -62.11 -41.1 97.88 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.616 -0.433 . . . . 0.0 112.014 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.79 -29.77 67.07 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.016 0.436 . . . . 0.0 110.041 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -54.56 -35.83 63.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.477 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.12 -40.57 85.82 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.233 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.536 ' CG2' ' CE1' ' B' ' 16' ' ' HIS . 77.6 mt -63.89 -47.43 90.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.499 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.43 -41.59 97.42 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.486 -0.486 . . . . 0.0 112.256 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.445 ' O ' ' CD2' ' B' ' 18' ' ' HIS . 19.8 m -71.91 -38.26 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 119.833 -0.747 . . . . 0.0 110.014 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.31 -47.48 85.86 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.859 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.536 ' CE1' ' CG2' ' B' ' 12' ' ' ILE . 57.8 m170 -61.77 -46.88 87.67 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.539 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.24 -47.67 75.96 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.096 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' B' ' 14' ' ' VAL . 89.9 m-70 -62.55 -47.61 83.11 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.65 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.422 ' O ' ' O ' ' B' ' 22' ' ' GLU . 85.9 p -65.16 -35.62 81.67 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.236 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.07 -38.24 95.71 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.975 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.59 -41.05 89.4 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.431 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.3 mt-10 -124.16 152.51 42.74 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.063 0.459 . . . . 0.0 111.416 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.27 -163.39 0.13 Allowed Glycine 0 CA--C 1.519 0.339 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.51 136.97 47.79 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.421 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.528 ' HZ2' ' C ' ' B' ' 16' ' ' HIS . 41.6 tttp -59.61 -37.83 79.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.293 0.568 . . . . 0.0 110.55 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -65.11 -27.46 68.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.343 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -112.96 143.37 44.36 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.684 0.754 . . . . 0.0 112.234 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.474 ' CD1' ' C ' ' B' ' 28' ' ' LEU . 1.0 OUTLIER -103.96 124.39 48.91 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 114.51 -1.223 . . . . 0.0 107.876 179.228 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.439 ' N ' HD12 ' B' ' 28' ' ' LEU . 86.1 p -104.57 154.55 19.79 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.959 0.409 . . . . 0.0 110.601 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -57.4 -37.65 73.05 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.486 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -55.82 -41.43 74.21 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 118.695 -1.202 . . . . 0.0 108.512 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 98.6 mt-10 -66.44 -38.43 87.39 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.717 177.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.49 ' CD2' ' SD ' ' B' ' 58' ' ' MET . 23.7 tp -65.48 -49.11 70.28 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -60.8 -46.81 89.06 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.263 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.85 -38.45 86.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.669 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.405 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 9.8 tt -64.75 -44.2 90.86 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.437 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.472 HD22 ' N ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -69.11 -43.42 74.51 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.863 179.174 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -63.33 -45.4 91.44 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.705 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.2 m -70.44 -42.37 71.62 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.509 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 98.3 mt-10 -74.67 -33.76 62.55 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 62.4 mt -97.57 147.09 24.64 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -177.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.601 ' O ' ' N ' ' B' ' 44' ' ' PHE . 24.9 m -54.78 -29.7 54.84 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 113.448 -1.706 . . . . 0.0 109.095 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.615 ' O ' ' N ' ' B' ' 47' ' ' ALA . . . -45.14 -11.18 0.02 OUTLIER Glycine 0 CA--C 1.522 0.52 0 N-CA-C 109.974 -1.25 . . . . 0.0 109.974 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.601 ' N ' ' O ' ' B' ' 42' ' ' SER . 53.7 t80 -50.13 -42.9 51.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.01 -40.66 94.41 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.215 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -102.17 8.41 40.64 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.244 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.615 ' N ' ' O ' ' B' ' 43' ' ' GLY . . . -60.6 -30.84 70.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -177.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.513 ' O ' ' O ' ' B' ' 47' ' ' ALA . 92.9 mt-30 -31.05 -101.79 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 55.6 pttt -58.33 -34.78 71.0 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.334 0.588 . . . . 0.0 110.66 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.06 -32.47 54.7 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.975 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' B' ' 47' ' ' ALA . 5.4 p -52.48 -34.74 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.812 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.661 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 52.8 p30 -59.52 -33.84 71.88 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.804 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.661 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -58.04 -27.5 63.63 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 4.2 p -54.09 -36.88 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.549 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.408 ' N ' HG12 ' B' ' 54' ' ' VAL . 88.9 m-20 -65.61 -42.69 91.29 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 119.584 -0.846 . . . . 0.0 110.764 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.53 -40.36 96.81 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 m -72.42 -32.71 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.49 ' SD ' ' CD2' ' B' ' 33' ' ' LEU . 92.4 mmm -57.53 -38.39 74.61 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.328 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.33 -46.01 92.05 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.946 -0.702 . . . . 0.0 112.076 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -70.1 -42.3 72.88 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.428 HD11 ' N ' ' B' ' 61' ' ' LEU . 7.0 mp -68.96 -36.9 78.44 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.553 ' OD1' ' OD1' ' B' ' 64' ' ' ASN . 53.2 t0 -85.29 109.41 18.34 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.384 -0.926 . . . . 0.0 110.954 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.81 -37.43 86.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.638 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.555 ' O ' ' N ' ' B' ' 66' ' ' ASP . 38.4 p-10 -91.13 7.54 40.06 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' B' ' 64' ' ' ASN . . . 36.88 26.58 0.01 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.643 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 55.3 p30 -61.43 -32.18 72.14 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.643 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.62 -5.0 60.0 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -178.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.414 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 96.5 mt-10 -112.77 151.56 30.18 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.9 t -110.18 133.51 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.431 0.634 . . . . 0.0 110.766 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 56.8 t0 -98.77 152.87 19.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.827 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.449 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 76.8 t80 -50.95 -40.8 58.31 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.439 -0.904 . . . . 0.0 109.246 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.43 -41.09 84.29 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.09 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.19 -39.46 82.5 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.47 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.41 -45.2 92.09 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.7 p -60.08 -39.1 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.779 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.5 -32.98 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.35 -0.54 . . . . 0.0 109.808 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.6 tt -61.28 -41.29 96.7 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.485 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 m -72.21 -32.37 42.77 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 C-N-CA 120.214 -0.595 . . . . 0.0 111.095 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.82 -36.71 81.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.561 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.71 -45.75 85.22 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.895 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.47 -35.54 80.53 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.666 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 55.0 m -53.03 -36.07 60.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.387 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.0 t -57.42 -36.96 55.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.171 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.32 73.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -55.93 -39.01 71.06 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.964 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -60.32 -42.67 96.09 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.914 -0.714 . . . . 0.0 109.1 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -63.57 -41.61 98.38 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.771 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -66.11 -35.52 80.71 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.599 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -53.47 -38.8 63.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.05 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.11 -35.08 61.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.505 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.48 -32.7 72.72 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.482 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.31 120.18 39.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.555 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 34.8 t . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.528 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 40' ' ' GLU . 39.5 t . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.661 0.267 . . . . 0.0 110.673 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.86 -38.12 89.58 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.196 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.54 -41.85 97.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.784 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.93 -41.49 91.29 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.775 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -61.67 -43.5 98.75 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.79 -40.06 83.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.241 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.9 ttp -62.03 -43.38 98.96 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.59 -31.05 67.69 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 120.964 0.411 . . . . 0.0 110.138 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -55.79 -36.46 67.42 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.401 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.3 -41.85 97.67 Favored 'General case' 0 C--N 1.343 0.326 0 C-N-CA 118.813 -1.155 . . . . 0.0 110.547 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.6 mt -65.89 -43.59 92.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.147 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -61.03 -41.5 96.69 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.199 -0.601 . . . . 0.0 111.979 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 m -74.77 -39.05 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.965 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -64.18 -51.25 64.7 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.41 0.624 . . . . 0.0 110.528 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.475 ' NE2' ' CE ' ' A' ' 25' ' ' LYS . 81.7 t60 -64.03 -47.52 79.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.642 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.2 95.43 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.14 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.592 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 83.7 t60 -62.76 -46.27 88.81 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.701 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.489 ' O ' ' O ' ' A' ' 22' ' ' GLU . 23.0 t -60.32 -41.11 92.81 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.337 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.32 -39.79 98.22 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.734 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.1 -42.21 94.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.519 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -129.07 149.65 50.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.833 0.349 . . . . 0.0 111.634 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.54 -158.1 32.51 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.469 ' O ' ' O ' ' A' ' 27' ' ' LYS . 88.6 m-20 -74.29 133.8 42.6 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' CE ' ' NE2' ' A' ' 16' ' ' HIS . 27.1 tttt -60.94 -40.48 93.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.23 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -66.24 -32.89 74.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.442 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 24' ' ' ASP . 97.9 mttt -120.52 145.64 47.1 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -108.73 133.46 52.78 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.113 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -103.15 152.35 21.54 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HZ1' ' CG ' ' A' ' 58' ' ' MET . 46.8 tttp -56.1 -37.24 69.11 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 118.938 -1.105 . . . . 0.0 110.529 -178.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.37 -40.89 71.88 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 118.863 -1.135 . . . . 0.0 108.09 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.592 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 96.3 mt-10 -67.66 -39.05 84.56 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.81 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.3 tp -64.58 -45.07 88.58 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -59.68 -47.21 86.54 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 119.629 -0.828 . . . . 0.0 111.341 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -65.14 -41.37 94.84 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.418 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.409 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 24.9 tp -62.17 -55.62 26.86 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.0 tp -69.13 -41.73 76.95 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.743 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.504 ' NE2' ' CG2' ' A' ' 51' ' ' VAL . 94.0 mt-30 -64.33 -41.52 96.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.998 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.3 m -69.25 -43.66 73.52 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' B' ' 2' ' ' SER . 76.9 mm-40 -75.33 -32.24 60.86 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.53 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.3 tp -100.85 138.06 38.41 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.578 0.704 . . . . 0.0 112.393 -177.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.61 ' C ' ' H ' ' A' ' 44' ' ' PHE . 25.7 m -51.28 -27.99 10.79 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.283 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.53 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -43.91 -10.86 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.61 ' H ' ' C ' ' A' ' 42' ' ' SER . 66.6 t80 -47.33 -35.55 8.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.9 tp -53.77 -34.9 60.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.605 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.52 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 43.1 p30 -79.26 11.19 3.02 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.96 0.409 . . . . 0.0 110.244 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -58.68 -23.45 59.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.524 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.503 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.7 mt-30 -54.35 -155.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.812 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -56.67 -28.52 60.87 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.92 -33.99 62.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.198 0.523 . . . . 0.0 109.782 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.504 ' CG2' ' NE2' ' A' ' 38' ' ' GLN . 5.9 p -52.47 -28.64 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.352 -179.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -53.4 -35.21 60.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.836 0.35 . . . . 0.0 110.692 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.69 -27.95 59.9 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.062 0.458 . . . . 0.0 110.232 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 p -52.41 -37.9 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -65.62 -41.45 92.69 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.571 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -62.56 -39.67 94.39 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.3 m -71.03 -30.45 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 120.184 -0.606 . . . . 0.0 112.572 -178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.529 ' CG ' ' HZ1' ' A' ' 30' ' ' LYS . 95.1 mmm -56.43 -38.07 71.07 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.83 -43.27 98.48 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.664 -0.814 . . . . 0.0 111.543 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.06 -41.25 74.43 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.497 -0.481 . . . . 0.0 112.141 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.26 -36.55 81.81 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.512 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 50.3 t0 -84.61 103.84 14.08 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.819 -0.752 . . . . 0.0 111.194 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.69 -37.41 84.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.499 0.666 . . . . 0.0 109.629 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -58.75 -37.76 76.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.9 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.25 5.15 87.35 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 107.819 -2.112 . . . . 0.0 107.819 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.642 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 49.2 p30 -63.85 -32.94 74.63 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 114.127 -1.036 . . . . 0.0 112.502 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.642 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.88 -2.01 61.64 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 68' ' ' GLU . 59.0 mp0 -109.55 154.36 22.83 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -106.29 132.92 52.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.689 0.757 . . . . 0.0 112.164 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -102.24 160.64 14.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.299 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -52.39 -43.29 64.67 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.085 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.81 -41.48 91.34 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.221 -0.591 . . . . 0.0 110.385 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.12 -37.58 86.07 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.124 0.488 . . . . 0.0 110.547 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -63.27 -42.88 99.16 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 121.524 0.678 . . . . 0.0 111.394 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.328 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.9 m -72.09 -33.11 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.795 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.19 -42.72 99.09 Favored 'General case' 0 CA--C 1.527 0.078 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.458 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.9 m -72.41 -31.14 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.373 0.606 . . . . 0.0 111.355 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.59 86.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.217 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.41 96.65 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.669 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.4 -36.55 84.3 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.382 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.2 m -53.11 -37.59 61.88 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.38 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.53 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 75.0 t -59.9 -36.24 65.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.603 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.83 72.94 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 ttp -56.82 -38.22 72.3 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 119.468 -0.893 . . . . 0.0 110.566 -178.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.69 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 31.4 p-10 -63.61 -40.04 95.9 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 118.975 -1.09 . . . . 0.0 110.252 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.69 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 20.6 t-20 -62.86 -45.5 92.29 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.021 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.95 -48.99 66.87 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.824 0.821 . . . . 0.0 110.846 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -55.69 -38.51 69.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.027 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -53.86 -33.67 57.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.708 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.21 -33.42 67.49 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.449 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -100.44 120.35 39.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.504 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.534 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 39.2 t -107.49 138.21 44.11 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.711 0.291 . . . . 0.0 110.698 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.97 -38.06 89.6 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.167 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.57 -41.81 97.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.709 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.94 -41.61 91.09 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.743 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -61.64 -43.4 98.94 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.88 -40.06 83.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.227 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 64.9 ttp -62.0 -43.38 98.96 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.55 -31.05 67.61 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 120.96 0.409 . . . . 0.0 110.178 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 34.8 m -55.9 -36.4 67.64 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.388 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.23 -41.99 97.83 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 118.877 -1.129 . . . . 0.0 110.498 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.423 HG21 HD13 ' B' ' 12' ' ' ILE . 76.5 mt -65.73 -43.65 93.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.195 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -61.04 -41.6 96.89 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.87 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.7 m -74.78 -39.08 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.405 ' CE1' HD12 ' B' ' 28' ' ' LEU . 69.2 t80 -64.14 -51.18 65.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.367 0.604 . . . . 0.0 110.56 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.476 ' NE2' ' CE ' ' B' ' 25' ' ' LYS . 81.7 t60 -64.06 -47.51 79.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.615 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.29 -43.22 95.43 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.104 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.588 ' NE2' ' O ' ' B' ' 32' ' ' GLU . 83.8 t60 -62.83 -46.35 88.35 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.634 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.472 ' O ' ' O ' ' B' ' 22' ' ' GLU . 23.0 t -60.25 -41.06 92.38 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.387 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.38 -39.82 98.21 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.714 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.97 -42.26 93.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.523 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -129.11 149.59 50.86 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.642 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.63 -158.06 32.96 Favored Glycine 0 CA--C 1.518 0.276 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 178.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.466 ' O ' ' O ' ' B' ' 27' ' ' LYS . 88.6 m-20 -74.35 133.84 42.52 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.476 ' CE ' ' NE2' ' B' ' 16' ' ' HIS . 27.2 tttt -60.97 -40.47 93.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.172 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -66.14 -33.04 74.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.453 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' B' ' 24' ' ' ASP . 97.8 mttt -120.43 145.68 46.98 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.584 0.707 . . . . 0.0 112.718 -178.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.405 HD12 ' CE1' ' B' ' 15' ' ' PHE . 8.5 tt -108.73 133.45 52.79 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.137 178.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -103.21 152.31 21.62 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.53 ' HZ1' ' CG ' ' B' ' 58' ' ' MET . 46.8 tttp -56.17 -37.2 69.24 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 118.916 -1.114 . . . . 0.0 110.423 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.36 -40.92 71.87 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 118.844 -1.143 . . . . 0.0 108.088 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.588 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 96.3 mt-10 -67.53 -39.15 85.07 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.823 177.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 37.4 tp -64.61 -45.0 88.77 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -59.68 -47.3 86.18 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.346 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -65.02 -41.43 95.31 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.441 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.412 ' HB2' ' CD2' ' B' ' 18' ' ' HIS . 25.1 tp -62.12 -55.67 26.48 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 33.8 tp -69.12 -41.67 77.08 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.788 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.504 ' NE2' ' CG2' ' B' ' 51' ' ' VAL . 94.0 mt-30 -64.3 -41.58 96.79 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.983 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.1 m -69.33 -43.47 73.65 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 2' ' ' SER . 77.0 mm-40 -75.41 -32.21 60.67 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -178.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.531 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.3 tp -100.84 138.12 38.32 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.575 0.703 . . . . 0.0 112.361 -177.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.613 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.4 m -51.31 -28.0 10.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.32 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.531 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -43.85 -10.89 0.01 OUTLIER Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.613 ' N ' ' O ' ' B' ' 42' ' ' SER . 66.5 t80 -47.35 -35.53 8.26 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -53.74 -34.98 60.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.601 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.513 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 42.9 p30 -79.23 11.22 2.98 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.012 0.434 . . . . 0.0 110.279 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -58.66 -23.44 59.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.584 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.494 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.7 mt-30 -54.33 -155.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.791 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -56.73 -28.53 61.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.879 -179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.93 -34.03 62.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.14 0.495 . . . . 0.0 109.751 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.504 ' CG2' ' NE2' ' B' ' 38' ' ' GLN . 5.9 p -52.35 -28.69 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.4 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -53.4 -35.26 60.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.762 0.315 . . . . 0.0 110.682 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.65 -27.92 59.53 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.108 0.48 . . . . 0.0 110.266 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 p -52.51 -37.81 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -65.63 -41.49 92.6 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.529 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -62.47 -39.69 94.25 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 16.1 m -71.04 -30.49 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.53 ' CG ' ' HZ1' ' B' ' 30' ' ' LYS . 95.2 mmm -56.33 -38.09 70.85 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.97 -43.17 99.17 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.502 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.99 -41.2 74.7 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.549 -0.46 . . . . 0.0 112.203 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.36 -36.57 81.67 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.518 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 50.2 t0 -84.52 103.8 13.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.802 -0.759 . . . . 0.0 111.247 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.67 -37.44 84.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.443 0.64 . . . . 0.0 109.639 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -58.68 -37.77 76.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.965 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.28 5.18 87.42 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 107.772 -2.131 . . . . 0.0 107.772 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.644 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 49.1 p30 -63.85 -33.0 74.72 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.124 -1.038 . . . . 0.0 112.459 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.644 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.83 -1.95 61.71 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.417 ' N ' ' OE1' ' B' ' 68' ' ' GLU . 59.0 mp0 -109.49 154.42 22.7 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -106.39 132.92 52.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.717 0.77 . . . . 0.0 112.094 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -102.25 160.67 14.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.287 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -52.4 -43.3 64.69 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.045 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.73 -41.58 91.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.36 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -66.12 -37.53 85.95 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.589 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -63.21 -42.99 99.38 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.423 0.63 . . . . 0.0 111.398 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.348 -179.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 24.4 m -72.05 -33.21 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.817 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.14 -42.76 99.13 Favored 'General case' 0 CA--C 1.526 0.04 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.52 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 22.7 m -72.36 -31.15 37.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.397 0.618 . . . . 0.0 111.42 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.21 -40.59 86.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.155 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.43 96.47 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.561 -0.855 . . . . 0.0 110.585 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.36 -36.59 84.48 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.394 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 43.8 m -53.03 -37.65 61.73 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.364 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.528 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 75.5 t -59.93 -36.22 65.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.566 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.9 -31.8 72.94 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 2.6 ttp -56.84 -38.13 72.23 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 119.47 -0.892 . . . . 0.0 110.582 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.688 ' OD1' ' N ' ' B' ' 87' ' ' ASN . 31.6 p-10 -63.72 -39.99 95.67 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.078 -1.049 . . . . 0.0 110.205 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.688 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 20.5 t-20 -62.9 -45.55 91.99 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.96 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -66.81 -49.08 66.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.859 0.838 . . . . 0.0 110.919 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -55.64 -38.45 69.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.121 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -53.86 -33.75 57.32 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.722 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.14 -33.39 67.35 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.426 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -100.58 120.41 40.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.487 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 m . . . . . 0 C--O 1.239 0.507 0 CA-C-O 120.937 0.398 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.95 -35.85 75.84 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.075 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.403 ' CD1' ' CD2' ' B' ' 11' ' ' LEU . 39.5 tp -62.77 -41.78 99.39 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 119.996 -0.681 . . . . 0.0 110.013 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.01 -41.49 98.13 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.6 m -64.38 -38.85 92.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.277 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.525 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -63.9 -43.51 95.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.635 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.6 ptp -62.65 -38.87 91.98 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.393 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -56.93 -32.64 66.17 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.941 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.525 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 64.4 p -63.71 -31.89 73.21 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.504 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.44 -42.33 98.68 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.948 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -64.81 -48.04 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.05 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -60.25 -43.24 96.28 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.455 ' C ' ' HD1' ' A' ' 18' ' ' HIS . 13.7 m -72.39 -37.37 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.78 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -61.85 -53.16 59.67 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.6 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -64.29 -46.45 83.59 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -50.81 63.31 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 119.674 -0.811 . . . . 0.0 112.129 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.464 ' CG ' ' CD1' ' A' ' 36' ' ' LEU . 74.3 m80 -65.06 -49.24 70.85 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.153 -0.619 . . . . 0.0 112.103 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 22' ' ' GLU . 85.9 p -65.91 -33.76 76.57 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.827 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.09 -38.04 94.87 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.767 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.61 -40.53 83.54 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.57 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.8 mm-40 -124.77 149.36 47.42 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.947 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.78 -167.77 44.72 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.2 138.72 45.81 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -60.44 -38.38 83.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.151 0.501 . . . . 0.0 110.524 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -66.84 -32.44 73.71 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -117.21 145.99 43.54 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -106.04 129.62 54.12 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.8 m -104.59 157.04 17.44 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.167 0.508 . . . . 0.0 111.985 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HZ2' HG13 ' A' ' 54' ' ' VAL . 7.5 tptp -54.55 -41.8 70.22 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.598 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.86 -40.87 90.08 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.198 -1.001 . . . . 0.0 109.705 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.57 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.5 mt-10 -64.84 -39.15 93.11 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.229 0.538 . . . . 0.0 109.947 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' CD2' ' SD ' ' A' ' 58' ' ' MET . 24.1 tp -63.47 -42.77 98.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.741 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -61.13 -45.41 94.8 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.143 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.86 -41.64 86.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.945 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CD1' ' CG ' ' A' ' 18' ' ' HIS . 52.3 tp -65.86 -49.1 69.33 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 119.956 -0.698 . . . . 0.0 112.425 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.564 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 2.5 mm? -69.95 -41.08 75.03 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 119.714 -0.794 . . . . 0.0 112.018 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.448 HE21 ' HA ' ' A' ' 44' ' ' PHE . 44.3 tp60 -63.64 -43.15 97.62 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.749 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.72 -42.73 73.61 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.84 -31.98 63.46 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.3 mt -94.1 146.81 23.7 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 122.346 1.069 . . . . 0.0 113.83 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.553 ' C ' ' H ' ' A' ' 44' ' ' PHE . 87.1 p -57.88 -25.4 60.71 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 113.778 -1.556 . . . . 0.0 109.228 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 47' ' ' ALA . . . -46.92 -13.1 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.553 ' H ' ' C ' ' A' ' 42' ' ' SER . 63.1 t80 -51.32 -44.36 61.95 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.01 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.9 tp -63.34 -39.11 93.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.113 0.482 . . . . 0.0 110.907 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -98.32 15.79 23.53 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.412 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.597 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -55.05 -30.63 60.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -177.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.597 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.5 mt-30 -32.65 -111.13 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -178.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -57.66 -31.49 66.37 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.921 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -53.25 -33.83 54.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.026 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 7.3 p -52.44 -36.76 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.451 -179.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -57.13 -36.89 71.24 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.085 0.469 . . . . 0.0 110.687 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.99 -28.11 64.1 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.171 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 3.6 p -54.82 -36.76 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 C-N-CA 119.357 -0.937 . . . . 0.0 109.073 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.428 ' N ' HG11 ' A' ' 54' ' ' VAL . 87.8 m-20 -65.63 -42.66 91.23 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.927 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.48 -40.81 98.09 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 m -72.7 -34.11 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.453 ' SD ' ' CD2' ' A' ' 33' ' ' LEU . 94.2 mmm -59.7 -37.82 79.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -179.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -60.3 -43.47 96.29 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.944 -0.703 . . . . 0.0 112.27 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.64 -41.23 75.87 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.142 -0.623 . . . . 0.0 112.111 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.92 -37.52 81.76 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.501 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 52.1 t0 -85.14 100.16 11.55 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.479 -0.888 . . . . 0.0 110.941 -179.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -68.54 -35.96 78.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.33 0.586 . . . . 0.0 109.979 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -59.15 -38.59 80.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.784 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.06 3.43 90.58 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 107.906 -2.078 . . . . 0.0 107.906 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.7 p30 -63.46 -33.82 76.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 114.181 -1.009 . . . . 0.0 112.729 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.653 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.91 -0.63 64.72 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.97 149.9 28.54 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.4 t -112.99 132.62 61.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.218 0.532 . . . . 0.0 111.065 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 47.5 p30 -106.15 171.03 7.57 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -53.86 -42.14 68.23 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.841 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -59.15 -42.39 90.58 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.842 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -68.57 -38.08 80.42 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.476 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -63.25 -44.41 95.28 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.403 HG11 ' N ' ' A' ' 76' ' ' VAL . 3.2 p -59.89 -39.22 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.07 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.858 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.403 ' N ' HG11 ' A' ' 75' ' ' VAL . 31.9 m -76.42 -33.18 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.889 178.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.11 -42.32 94.48 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.468 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.5 m -73.34 -32.23 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.04 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.71 94.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.735 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.22 92.96 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.245 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.95 -36.8 85.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.554 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.6 m -54.61 -36.82 64.87 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.111 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.84 -35.09 54.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.045 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.26 80.39 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.503 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.2 ttt -60.0 -39.44 85.79 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.378 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -58.23 -42.07 85.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.1 -41.84 97.4 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.375 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.8 -41.59 95.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.463 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -53.81 -39.4 65.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.062 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -54.42 -34.7 61.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.076 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.63 -33.21 68.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.507 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -99.68 120.51 39.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.524 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.602 179.896 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.4 m -62.69 155.63 25.85 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 120.899 0.381 . . . . 0.0 110.503 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.94 -35.93 75.99 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.041 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 39.5 tp -62.77 -41.74 99.37 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.049 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.99 -41.54 98.15 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.5 m -64.37 -38.97 92.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.267 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.528 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -63.8 -43.36 96.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.643 -178.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.4 ptp -62.82 -38.84 92.32 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.316 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.03 -32.55 66.29 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.95 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.528 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 66.5 p -63.72 -31.87 73.17 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.551 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.403 ' CD2' ' CD1' ' A' ' 4' ' ' LEU . 52.0 mt -63.38 -42.35 98.83 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.963 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.42 HD11 HG21 ' B' ' 12' ' ' ILE . 81.7 mt -64.94 -47.93 86.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.065 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -60.28 -43.23 96.41 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.458 ' C ' ' HD1' ' B' ' 18' ' ' HIS . 13.7 m -72.47 -37.3 56.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.754 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -61.89 -53.15 59.81 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.566 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -64.27 -46.55 83.21 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.73 -50.84 63.36 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 119.742 -0.783 . . . . 0.0 111.991 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.461 ' CG ' ' CD1' ' B' ' 36' ' ' LEU . 74.3 m80 -65.05 -49.21 70.98 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.143 -0.623 . . . . 0.0 112.167 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.449 ' O ' ' O ' ' B' ' 22' ' ' GLU . 85.8 p -65.93 -33.7 76.42 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.19 -37.98 94.67 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.719 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.5 -40.83 83.89 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.894 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.572 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.8 mm-40 -124.6 149.35 47.14 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.009 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.68 -167.78 44.34 Favored Glycine 0 CA--C 1.518 0.279 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.1 138.71 45.98 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -60.45 -38.39 84.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.136 0.493 . . . . 0.0 110.52 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -66.92 -32.28 73.43 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -117.41 146.1 43.67 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -106.11 129.58 54.17 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.6 m -104.53 157.03 17.45 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.261 0.553 . . . . 0.0 111.92 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.406 ' HZ2' HG13 ' B' ' 54' ' ' VAL . 7.5 tptp -54.61 -41.75 70.33 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.627 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.97 -40.77 90.2 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.697 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.572 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.4 mt-10 -64.76 -39.19 93.21 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.287 0.565 . . . . 0.0 109.999 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.456 ' CD2' ' SD ' ' B' ' 58' ' ' MET . 24.1 tp -63.47 -42.68 98.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.806 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -61.14 -45.47 94.53 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.116 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.83 -41.59 87.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.013 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.461 ' CD1' ' CG ' ' B' ' 18' ' ' HIS . 52.2 tp -65.91 -49.13 69.09 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 119.963 -0.695 . . . . 0.0 112.447 -178.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 2.5 mm? -69.91 -41.08 75.15 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 119.758 -0.777 . . . . 0.0 112.043 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.445 HE21 ' HA ' ' B' ' 44' ' ' PHE . 44.4 tp60 -63.68 -43.1 97.64 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.708 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.2 m -69.73 -42.82 73.47 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.78 -32.1 63.61 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 68.6 mt -93.94 146.91 23.58 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 122.43 1.11 . . . . 0.0 113.79 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.553 ' C ' ' H ' ' B' ' 44' ' ' PHE . 87.0 p -57.93 -25.51 61.01 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 113.84 -1.527 . . . . 0.0 109.246 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' B' ' 47' ' ' ALA . . . -46.84 -13.05 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.553 ' H ' ' C ' ' B' ' 42' ' ' SER . 63.3 t80 -51.32 -44.43 61.96 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 120.241 -0.584 . . . . 0.0 109.962 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 27.8 tp -63.32 -39.08 93.56 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.149 0.5 . . . . 0.0 110.938 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -98.29 15.76 23.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.401 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.598 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -55.1 -30.57 59.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.598 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.6 mt-30 -32.74 -111.09 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -57.63 -31.5 66.33 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.952 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -53.37 -33.74 54.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.0 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.441 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 7.2 p -52.54 -36.71 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.414 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -57.12 -36.87 71.18 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.751 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.11 -27.91 64.14 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.176 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.441 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 3.6 p -54.91 -36.78 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 C-N-CA 119.421 -0.911 . . . . 0.0 108.987 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.429 ' N ' HG11 ' B' ' 54' ' ' VAL . 88.0 m-20 -65.7 -42.63 90.96 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 119.874 -0.731 . . . . 0.0 110.936 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.53 -40.82 98.02 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 m -72.58 -34.09 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.456 ' SD ' ' CD2' ' B' ' 33' ' ' LEU . 94.3 mmm -59.63 -37.83 79.71 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -60.34 -43.44 96.44 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.27 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.64 -41.25 75.84 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.148 -0.621 . . . . 0.0 112.095 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.78 -37.73 82.44 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.512 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 52.0 t0 -85.04 100.18 11.51 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.987 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -68.56 -36.06 78.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.303 0.573 . . . . 0.0 109.938 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -59.0 -38.68 79.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.75 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.1 3.46 90.56 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.0 p30 -63.55 -33.8 76.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.194 -1.003 . . . . 0.0 112.654 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.645 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.92 -0.65 64.72 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.89 149.94 28.42 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -113.07 132.46 61.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.224 0.535 . . . . 0.0 111.049 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.439 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 47.5 p30 -106.05 170.99 7.58 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 177.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -53.8 -42.03 67.93 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.864 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.26 -42.41 91.08 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.764 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -68.52 -38.13 80.63 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.487 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -63.23 -44.46 95.19 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.405 HG11 ' N ' ' B' ' 76' ' ' VAL . 3.2 p -59.8 -39.22 79.26 Favored 'Isoleucine or valine' 0 C--O 1.23 0.071 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.934 -178.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.405 ' N ' HG11 ' B' ' 75' ' ' VAL . 31.3 m -76.36 -33.23 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.008 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.1 -42.27 94.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.478 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -73.35 -32.3 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.006 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.72 94.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.708 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.13 -43.08 93.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.271 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.5 mt -65.01 -36.81 85.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.502 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 47.0 m -54.69 -36.79 65.05 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.065 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.86 -35.08 54.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.031 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.33 80.31 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.503 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 25.2 ttt -60.05 -39.44 85.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.334 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -58.26 -42.08 85.65 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.324 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.02 -41.87 97.37 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.367 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -60.77 -41.62 95.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.47 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -53.8 -39.41 65.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.047 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -54.43 -34.67 61.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.083 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.65 -33.18 68.04 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -99.63 120.43 39.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.623 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.541 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.491 ' OG ' ' CG ' ' B' ' 40' ' ' GLU . 32.9 t . . . . . 0 C--O 1.236 0.374 0 CA-C-O 120.79 0.328 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.69 -36.99 80.15 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.933 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.9 tp -61.23 -42.04 97.92 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.172 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.73 -42.19 91.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.526 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.5 m -63.26 -42.82 99.21 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.122 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.56 -39.87 84.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.06 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.8 ttp -61.05 -42.04 97.74 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.06 -31.27 66.89 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.07 0.462 . . . . 0.0 110.06 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -56.3 -35.83 67.96 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.843 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.6 mt -59.6 -42.37 92.41 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 118.997 -1.081 . . . . 0.0 111.159 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.1 mt -65.96 -46.35 88.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.228 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -61.65 -41.63 97.79 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.585 -0.446 . . . . 0.0 112.16 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.401 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 16.3 m -73.04 -38.5 55.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.364 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -60.84 -46.85 88.95 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.677 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.81 -48.0 78.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.994 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.19 -51.21 56.35 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.006 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.552 ' CD2' ' CD1' ' A' ' 36' ' ' LEU . 75.5 m80 -61.51 -46.37 90.26 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 t -61.49 -40.6 95.17 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.35 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.9 -36.26 93.06 Favored Glycine 0 CA--C 1.522 0.529 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.556 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.44 -41.68 85.62 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.492 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -129.66 144.74 51.42 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.608 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.54 -163.75 54.78 Favored Glycine 0 C--N 1.331 0.298 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.42 137.37 48.25 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -61.83 -38.82 89.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.071 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -66.41 -34.18 77.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.67 147.18 48.71 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -106.68 125.6 51.21 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.677 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.6 p -87.06 159.08 19.06 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.797 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.458 ' HZ2' ' CG2' ' A' ' 54' ' ' VAL . 27.9 tptp -57.81 -39.32 77.29 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.147 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -59.33 -42.03 90.5 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.476 -0.89 . . . . 0.0 109.818 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.492 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 98.0 mt-10 -65.65 -38.73 90.17 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 109.735 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.1 tp -62.82 -42.14 99.6 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.588 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.14 -43.22 99.23 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.451 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.65 -40.16 94.95 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.653 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.588 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 30.2 tp -62.69 -48.03 81.04 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.961 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.426 ' O ' ' CB ' ' A' ' 41' ' ' LEU . 59.9 mt -68.39 -36.9 79.82 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.922 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.57 -44.54 96.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.587 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.5 m -80.76 -53.62 6.34 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.588 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 49.5 mp0 -76.6 -27.47 55.78 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.656 ' CD1' ' H ' ' A' ' 43' ' ' GLY . 0.4 OUTLIER -88.85 125.45 34.93 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 119.486 -0.885 . . . . 0.0 110.565 -177.011 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.578 ' C ' ' H ' ' A' ' 44' ' ' PHE . 23.7 m -55.66 -32.77 63.51 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.858 -179.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.656 ' H ' ' CD1' ' A' ' 41' ' ' LEU . . . -45.24 -13.11 0.04 OUTLIER Glycine 0 CA--C 1.52 0.397 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.578 ' H ' ' C ' ' A' ' 42' ' ' SER . 78.5 t80 -50.16 -42.97 51.95 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.914 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.67 -36.95 82.33 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.557 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 58.8 t0 -104.58 13.83 30.96 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.875 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.598 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -58.47 -41.25 84.81 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.59 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.598 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.8 mt-30 28.39 -158.95 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.637 0.732 . . . . 0.0 112.329 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -58.18 -22.16 50.36 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.832 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -51.6 -32.76 29.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.048 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 48.0 t -52.06 -38.95 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 C-N-CA 119.819 -0.752 . . . . 0.0 110.336 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -54.67 -35.71 63.85 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.016 0.436 . . . . 0.0 110.639 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.15 -27.61 62.02 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.169 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.458 ' CG2' ' HZ2' ' A' ' 30' ' ' LYS . 5.0 p -52.1 -37.13 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -65.98 -43.35 88.1 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.107 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.52 -41.32 98.78 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.8 m -73.09 -29.59 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.338 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.9 ttt -54.9 -39.62 68.96 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.937 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.88 -42.45 93.79 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.42 -41.25 93.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.562 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.6 mt -66.99 -38.37 85.9 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.538 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 53.1 t0 -89.56 108.14 19.49 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.694 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.62 -34.64 77.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.26 0.552 . . . . 0.0 109.989 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -58.44 -39.45 79.87 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.294 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.48 6.75 84.68 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 108.241 -1.944 . . . . 0.0 108.241 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.658 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 48.8 p30 -63.31 -33.28 75.18 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 114.381 -0.91 . . . . 0.0 112.866 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.658 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.75 -3.64 62.98 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.43 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 95.9 mt-10 -114.77 155.64 26.33 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.16 153.54 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-O 121.679 0.752 . . . . 0.0 111.915 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 50.5 p30 -117.54 177.49 4.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.36 -1.291 . . . . 0.0 108.474 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -54.16 -42.65 69.82 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.949 -0.701 . . . . 0.0 110.771 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.58 -43.11 93.73 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 120.323 -0.551 . . . . 0.0 112.001 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.488 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 92.7 mt-10 -69.57 -37.68 77.09 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.697 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -62.24 -45.83 91.56 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 p -60.95 -39.77 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.021 -0.672 . . . . 0.0 111.42 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 m -76.43 -34.26 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 120.049 -0.661 . . . . 0.0 110.34 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.75 -41.89 98.27 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.779 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 m -73.12 -33.0 41.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.364 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.29 88.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.019 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.92 96.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.954 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.9 mt -64.29 -36.65 84.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.15 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.9 m -52.93 -37.68 61.11 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.483 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.3 t -59.92 -35.61 61.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.62 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.61 90.6 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.125 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.0 ttp -60.34 -39.0 85.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.033 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -58.55 -42.28 87.49 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.345 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -60.98 -41.63 96.78 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.424 178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -60.77 -41.58 95.79 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.286 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.73 -39.83 65.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.97 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -54.69 -34.71 62.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.199 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.86 -33.25 68.47 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.546 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -103.61 137.17 42.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.568 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.481 ' OG ' ' CG ' ' A' ' 40' ' ' GLU . 32.9 t -107.45 141.87 38.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.572 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.72 -36.93 80.08 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 42.1 tp -61.22 -42.11 98.04 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.095 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.63 -42.24 91.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.599 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.1 m -63.23 -42.86 99.29 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.085 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.52 -39.86 85.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.056 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.8 ttp -61.14 -42.0 97.76 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.02 -31.24 66.79 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.098 0.475 . . . . 0.0 110.145 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.4 m -56.31 -35.9 68.07 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.771 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.2 mt -59.5 -42.41 92.12 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 119.031 -1.068 . . . . 0.0 111.248 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.9 -46.44 88.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.207 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -61.63 -41.59 97.7 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.541 -0.464 . . . . 0.0 112.193 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.4 m -73.06 -38.47 55.54 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.363 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.8 -46.83 88.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.696 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.92 -47.95 78.52 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.015 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.11 -51.23 56.66 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.226 -0.59 . . . . 0.0 112.094 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.547 ' CD2' ' CD1' ' B' ' 36' ' ' LEU . 75.5 m80 -61.43 -46.43 90.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.124 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.4 t -61.49 -40.65 95.32 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.353 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.82 -36.26 93.08 Favored Glycine 0 CA--C 1.521 0.431 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.583 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.54 -41.69 86.09 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.491 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -129.64 144.77 51.43 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.493 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.61 -163.73 54.76 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.46 137.29 48.12 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -61.76 -38.88 89.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.042 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -66.37 -34.17 77.36 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.66 147.06 48.77 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -177.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 tp -106.57 125.67 51.3 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 114.661 -1.154 . . . . 0.0 108.655 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 54.7 p -87.13 159.13 19.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.221 -0.592 . . . . 0.0 109.706 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.467 ' HZ2' ' CG2' ' B' ' 54' ' ' VAL . 27.9 tptp -57.9 -39.22 77.38 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.144 -0.623 . . . . 0.0 111.156 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -59.34 -42.08 90.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 119.428 -0.909 . . . . 0.0 109.838 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.491 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 98.0 mt-10 -65.65 -38.6 89.81 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.08 0.467 . . . . 0.0 109.782 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.88 -42.2 99.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.573 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.1 -43.17 99.29 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.505 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.63 -40.06 94.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.782 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.599 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 30.3 tp -62.83 -47.96 81.12 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.98 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 60.4 mt -68.43 -36.87 79.69 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.868 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.53 -44.65 95.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.545 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 56.0 m -80.63 -53.71 6.3 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.599 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 49.6 mp0 -76.43 -27.56 56.29 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -177.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.643 ' CD1' ' H ' ' B' ' 43' ' ' GLY . 0.4 OUTLIER -88.84 125.47 34.93 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.648 -177.01 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.584 ' C ' ' H ' ' B' ' 44' ' ' PHE . 23.9 m -55.75 -32.67 63.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.813 -179.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.643 ' H ' ' CD1' ' B' ' 41' ' ' LEU . . . -45.27 -13.12 0.04 OUTLIER Glycine 0 CA--C 1.52 0.366 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.584 ' H ' ' C ' ' B' ' 42' ' ' SER . 78.6 t80 -50.16 -42.92 51.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.95 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.2 mt -61.67 -36.9 82.18 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.57 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.481 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 58.9 t0 -104.67 13.76 30.95 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.817 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.594 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -58.43 -41.29 84.72 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.576 -177.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.594 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.9 mt-30 28.48 -158.95 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.645 0.736 . . . . 0.0 112.271 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -58.18 -22.17 50.5 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.847 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -51.68 -32.62 30.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.167 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 48.2 t -52.07 -38.92 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.346 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -54.76 -35.66 64.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.43 . . . . 0.0 110.634 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.07 -27.7 61.95 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.158 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.467 ' CG2' ' HZ2' ' B' ' 30' ' ' LYS . 5.0 p -52.13 -37.06 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.246 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -66.03 -43.32 87.93 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.114 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.55 -41.3 98.81 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 19.9 m -73.09 -29.58 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.319 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 21.8 ttt -54.82 -39.62 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.043 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -59.91 -42.52 94.05 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.257 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.39 -41.2 93.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.604 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 74.7 mt -66.97 -38.33 85.88 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.539 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 53.1 t0 -89.58 108.09 19.46 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.68 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.51 -34.73 77.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.248 0.547 . . . . 0.0 110.02 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -58.39 -39.35 79.42 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.359 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.31 6.81 84.29 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 108.264 -1.934 . . . . 0.0 108.264 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.648 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 48.7 p30 -63.3 -33.23 75.06 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.365 -0.917 . . . . 0.0 112.896 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.648 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.74 -3.7 63.05 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -178.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 95.9 mt-10 -114.77 155.57 26.46 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.2 m -125.1 153.54 32.46 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-O 121.692 0.758 . . . . 0.0 111.963 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.43 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 50.6 p30 -117.57 177.48 4.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.419 -1.264 . . . . 0.0 108.471 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -54.05 -42.73 69.54 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.746 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.62 -43.18 93.89 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 120.242 -0.583 . . . . 0.0 112.009 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.484 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 92.7 mt-10 -69.51 -37.61 77.23 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.906 -0.717 . . . . 0.0 110.71 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -62.26 -45.91 91.18 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 p -60.85 -39.78 83.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.099 -0.641 . . . . 0.0 111.399 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 m -76.52 -34.22 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.345 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.73 -41.93 98.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 13.1 m -73.07 -33.03 41.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 C-N-CA 119.787 -0.765 . . . . 0.0 110.392 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.25 87.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.048 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.0 96.26 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.872 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.2 mt -64.27 -36.63 84.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.189 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 62.0 m -52.92 -37.66 61.04 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.494 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.9 -35.67 62.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.638 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.64 90.82 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.192 -0.603 . . . . 0.0 111.062 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.1 ttp -60.31 -39.04 85.59 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.996 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -58.33 -42.3 86.5 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.483 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -61.07 -41.58 96.9 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.345 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.75 -41.63 95.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.236 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.8 -39.75 65.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.974 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.69 -34.66 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.278 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.86 -33.32 68.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.535 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -103.58 137.11 42.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.505 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.583 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.507 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 57.1 p . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.18 -38.65 77.09 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.839 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp -61.95 -41.63 98.2 Favored 'General case' 0 C--O 1.243 0.725 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.58 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.01 -40.81 96.94 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.431 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -64.57 -40.16 95.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.722 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.25 93.29 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.491 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.4 ptp -62.4 -39.75 94.27 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 119.222 -0.991 . . . . 0.0 111.046 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -57.02 -31.61 65.3 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.095 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.6 m -55.77 -38.13 69.45 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.196 -0.601 . . . . 0.0 109.886 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.01 -40.34 97.48 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.373 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.566 ' CG2' ' CE1' ' A' ' 16' ' ' HIS . 76.6 mt -64.17 -46.15 94.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.375 -179.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -60.78 -41.55 95.78 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.39 -0.524 . . . . 0.0 112.001 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -72.43 -39.02 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.332 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -61.32 -47.05 87.7 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.641 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.566 ' CE1' ' CG2' ' A' ' 12' ' ' ILE . 62.7 m170 -61.6 -45.68 93.05 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.914 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.3 -50.38 65.92 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.986 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.46 ' CD2' ' CD1' ' A' ' 36' ' ' LEU . 92.4 m-70 -62.54 -46.54 87.93 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.141 -0.624 . . . . 0.0 111.541 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t -61.35 -41.99 97.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.015 0.436 . . . . 0.0 111.359 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.575 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . . . -63.58 -39.57 97.75 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.46 -0.791 . . . . 0.0 113.596 -178.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -59.99 -43.4 95.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' CD ' ' A' ' 32' ' ' GLU . 94.9 mt-10 -131.91 150.79 52.05 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.722 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.04 -165.84 53.65 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 27' ' ' LYS . 88.6 m-20 -70.78 137.16 49.35 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' NZ ' ' O ' ' A' ' 20' ' ' GLY . 68.3 mmtt -61.14 -39.44 90.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.096 0.474 . . . . 0.0 110.326 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -67.5 -34.8 77.87 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.584 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 34.2 mtpt -123.0 153.17 40.15 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.582 0.706 . . . . 0.0 112.896 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.3 tp -98.47 125.48 43.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.1 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.3 p -83.53 156.45 22.8 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.961 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -59.19 -36.91 76.19 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 119.128 -1.029 . . . . 0.0 109.806 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -55.65 -41.94 74.32 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 119.297 -0.961 . . . . 0.0 108.588 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 22' ' ' GLU . 48.7 mt-10 -67.74 -38.57 83.7 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.065 177.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.7 tp -64.43 -46.71 82.02 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -60.42 -44.02 96.16 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.963 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.39 -38.86 91.23 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.214 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.46 ' CD1' ' CD2' ' A' ' 18' ' ' HIS . 36.1 tp -64.43 -43.78 93.27 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.425 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.453 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -68.25 -42.8 79.11 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.586 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -64.84 -42.23 95.07 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.647 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.47 -42.77 74.41 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.2 mm-40 -75.09 -33.82 61.69 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.604 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -95.76 142.84 27.56 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -178.352 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.61 ' C ' ' H ' ' A' ' 44' ' ' PHE . 24.8 m -55.66 -28.92 58.11 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.027 177.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -44.75 -10.23 0.01 OUTLIER Glycine 0 CA--C 1.522 0.505 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.419 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.61 ' H ' ' C ' ' A' ' 42' ' ' SER . 65.5 t80 -49.32 -41.04 37.33 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.5 tp -58.41 -36.42 73.55 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 43' ' ' GLY . 89.1 m-20 -86.65 13.25 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.195 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.529 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -59.76 -11.75 5.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.396 -178.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.529 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.9 mt-30 -51.44 -156.94 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.261 0.553 . . . . 0.0 111.636 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -54.16 -21.08 7.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.555 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.71 -34.19 58.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.504 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.0 m -58.14 -14.0 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.812 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -55.55 -36.06 66.38 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.91 -28.63 62.23 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.189 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.68 -39.35 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.59 -41.03 93.87 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.114 -1.034 . . . . 0.0 109.701 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -63.27 -38.78 92.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.822 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 m -70.51 -31.3 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.256 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.11 -36.37 72.81 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.41 -40.02 85.32 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.888 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -67.02 -41.24 86.97 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.655 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.6 mt -68.21 -36.63 79.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.824 0.345 . . . . 0.0 111.37 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.495 ' OD1' ' OE1' ' A' ' 73' ' ' GLU . 97.5 m-20 -98.6 71.24 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.141 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.28 -29.02 69.6 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -53.68 -36.48 62.21 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.123 -1.399 . . . . 0.0 110.089 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.55 3.69 74.38 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 108.441 -1.864 . . . . 0.0 108.441 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.694 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.9 p30 -62.57 -35.78 80.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.316 -0.942 . . . . 0.0 113.03 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.694 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 86.83 0.75 85.63 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 108.562 -1.815 . . . . 0.0 108.562 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.584 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 95.9 mt-10 -116.64 157.97 24.51 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 114.44 -0.88 . . . . 0.0 109.098 179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.45 150.41 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.647 0.737 . . . . 0.0 111.449 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -102.88 161.85 13.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.048 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -51.51 -40.05 58.84 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.16 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -57.6 -41.59 81.52 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.824 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.495 ' OE1' ' OD1' ' A' ' 62' ' ' ASP . 93.1 mt-10 -68.27 -39.82 82.04 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.536 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -63.36 -44.48 94.68 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 p -59.68 -39.14 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.509 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.6 m -75.97 -33.24 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 120.055 -0.658 . . . . 0.0 109.91 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.431 ' CD2' ' C ' ' A' ' 77' ' ' LEU . 7.8 tt -59.73 -42.82 93.98 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.736 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.8 m -73.41 -32.65 37.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.401 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.39 92.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.485 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.11 -43.0 93.44 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.307 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 65.0 mt -64.7 -36.28 83.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.718 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.5 m -53.31 -37.69 62.48 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.484 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.91 -35.88 63.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.237 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.77 80.7 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.257 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.4 tpt -59.12 -38.41 79.53 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -58.32 -44.38 88.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.017 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.76 -41.75 99.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.288 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.74 -42.08 96.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.044 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -53.58 -39.19 64.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.994 -178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -54.41 -34.74 61.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.595 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.32 -32.67 72.54 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.63 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.85 136.99 42.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.5 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.1 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.559 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.499 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 57.4 p -69.73 161.62 29.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.725 0.298 . . . . 0.0 110.588 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.26 -38.73 77.5 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.746 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.85 -41.7 98.14 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.573 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.96 -40.88 97.1 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.413 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -64.53 -40.2 95.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.683 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.25 93.64 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.571 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.4 ptp -62.54 -39.64 94.24 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.96 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -57.08 -31.69 65.5 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.1 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.8 m -55.59 -38.29 69.22 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.194 -0.603 . . . . 0.0 109.926 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.7 mt -62.93 -40.31 97.23 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.44 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.571 ' CG2' ' CE1' ' B' ' 16' ' ' HIS . 76.6 mt -64.13 -46.16 94.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.362 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -60.7 -41.72 95.75 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.442 -0.503 . . . . 0.0 112.007 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 30.2 m -72.31 -39.11 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.338 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.22 -47.1 87.68 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.642 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.571 ' CE1' ' CG2' ' B' ' 12' ' ' ILE . 62.5 m170 -61.66 -45.66 93.06 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.897 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.2 -50.44 65.9 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 119.892 -0.723 . . . . 0.0 111.968 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.454 ' CD2' ' CD1' ' B' ' 36' ' ' LEU . 92.4 m-70 -62.64 -46.44 88.21 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.553 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t -61.43 -41.94 97.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.007 0.432 . . . . 0.0 111.322 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.58 ' O ' ' NZ ' ' B' ' 25' ' ' LYS . . . -63.62 -39.53 97.67 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 115.475 -0.784 . . . . 0.0 113.602 -178.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -60.01 -43.39 95.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -177.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.453 ' O ' ' CD ' ' B' ' 32' ' ' GLU . 94.9 mt-10 -131.89 150.71 52.07 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.753 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.09 -165.86 53.59 Favored Glycine 0 CA--C 1.518 0.263 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' B' ' 27' ' ' LYS . 88.6 m-20 -70.8 137.16 49.3 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' B' ' 20' ' ' GLY . 68.2 mmtt -61.12 -39.49 90.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.015 0.436 . . . . 0.0 110.233 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -67.38 -34.91 78.26 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.583 ' NZ ' ' OE1' ' B' ' 68' ' ' GLU . 34.2 mtpt -122.9 153.15 40.06 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.9 tp -98.41 125.57 43.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.095 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 57.0 p -83.6 156.47 22.71 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.325 -0.55 . . . . 0.0 109.874 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -59.24 -36.93 76.35 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 119.074 -1.051 . . . . 0.0 109.787 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -55.59 -42.0 74.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 119.282 -0.967 . . . . 0.0 108.534 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' B' ' 22' ' ' GLU . 48.8 mt-10 -67.67 -38.68 84.07 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.002 177.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 tp -64.31 -46.71 82.38 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -60.4 -44.13 95.98 Favored 'General case' 0 N--CA 1.436 -1.171 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.915 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.38 -38.93 91.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.177 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.454 ' CD1' ' CD2' ' B' ' 18' ' ' HIS . 36.1 tp -64.29 -43.89 93.38 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 120.078 -0.649 . . . . 0.0 111.433 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.453 ' N ' HD23 ' B' ' 37' ' ' LEU . 0.5 OUTLIER -68.14 -42.83 79.53 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.577 179.799 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -64.92 -42.1 94.99 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.49 -0.884 . . . . 0.0 111.622 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.55 -42.71 74.21 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.507 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 77.2 mm-40 -75.18 -33.76 61.49 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.616 ' N ' ' CD2' ' B' ' 41' ' ' LEU . 0.5 OUTLIER -95.88 142.83 27.66 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.957 0.885 . . . . 0.0 113.265 -178.292 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.61 ' C ' ' H ' ' B' ' 44' ' ' PHE . 25.1 m -55.65 -28.88 57.86 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.024 177.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' B' ' 46' ' ' ASP . . . -44.7 -10.22 0.01 OUTLIER Glycine 0 CA--C 1.522 0.471 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.442 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.61 ' H ' ' C ' ' B' ' 42' ' ' SER . 65.7 t80 -49.39 -41.01 38.1 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.39 -36.52 73.66 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 43' ' ' GLY . 88.9 m-20 -86.56 13.18 8.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.243 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.541 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -59.7 -11.77 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.326 -178.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.541 ' O ' ' O ' ' B' ' 47' ' ' ALA . 94.0 mt-30 -51.48 -156.95 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.292 0.567 . . . . 0.0 111.628 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -54.04 -21.22 7.83 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.481 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -53.67 -34.2 57.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.809 0.338 . . . . 0.0 110.534 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 23.7 m -58.12 -14.02 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.774 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.61 -36.08 66.56 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.89 -28.6 62.08 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.195 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.2 t -56.64 -39.43 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.64 -40.94 93.83 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.078 -1.049 . . . . 0.0 109.618 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -63.26 -38.84 92.74 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.78 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.412 HG23 ' N ' ' B' ' 58' ' ' MET . 2.5 m -70.44 -31.41 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 120.203 -0.599 . . . . 0.0 112.215 -177.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.412 ' N ' HG23 ' B' ' 57' ' ' VAL . 96.3 mmm -58.04 -36.39 72.68 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.33 -40.08 85.19 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.969 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.91 -41.31 87.31 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.013 -0.675 . . . . 0.0 111.685 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.5 mt -68.2 -36.58 79.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.85 0.357 . . . . 0.0 111.399 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.488 ' OD1' ' OE1' ' B' ' 73' ' ' GLU . 97.4 m-20 -98.61 71.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.114 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.25 -29.12 69.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -53.54 -36.57 61.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.106 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.54 3.75 74.33 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.694 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.9 p30 -62.44 -35.82 80.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.417 -0.891 . . . . 0.0 113.057 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.694 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 86.73 0.81 85.77 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 108.58 -1.808 . . . . 0.0 108.58 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.583 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 95.9 mt-10 -116.72 157.98 24.58 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 114.408 -0.896 . . . . 0.0 109.163 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.39 150.4 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.627 0.727 . . . . 0.0 111.474 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -102.95 161.75 13.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.519 -1.219 . . . . 0.0 108.99 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -51.49 -40.06 58.79 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.148 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -57.58 -41.54 81.35 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.904 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.488 ' OE1' ' OD1' ' B' ' 62' ' ' ASP . 93.1 mt-10 -68.33 -39.83 81.83 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.475 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -63.26 -44.51 94.93 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.401 HG12 ' N ' ' B' ' 76' ' ' VAL . 2.7 p -59.6 -39.26 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.551 -178.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.401 ' N ' HG12 ' B' ' 75' ' ' VAL . 31.5 m -75.81 -33.36 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 120.159 -0.616 . . . . 0.0 109.896 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.433 ' C ' ' CD2' ' B' ' 77' ' ' LEU . 7.8 tt -59.82 -42.81 94.33 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.626 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 23.0 m -73.4 -32.58 37.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.371 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.35 92.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.426 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.17 -43.04 93.01 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.266 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.405 ' CD1' ' CD1' ' B' ' 37' ' ' LEU . 65.8 mt -64.7 -36.25 83.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.751 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 48.5 m -53.2 -37.8 62.31 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.602 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 71.6 t -59.82 -35.9 63.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.275 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.8 80.92 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.164 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.4 tpt -59.14 -38.27 79.28 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -58.41 -44.32 88.97 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.038 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.79 -41.72 99.38 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.322 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.71 -42.13 96.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.048 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -53.54 -39.12 64.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.05 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -54.49 -34.73 62.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.579 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.3 -32.71 72.57 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.655 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.85 137.02 42.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.599 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.238 0.47 0 CA-C-O 120.993 0.425 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -59.51 -37.28 77.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.171 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.8 mt -63.94 -39.2 93.6 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.276 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.82 -39.19 90.62 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.619 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -63.1 -43.07 99.51 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.274 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.33 -37.34 83.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.223 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 45.0 ttm -58.42 -42.82 88.1 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.765 -178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.29 -31.78 65.96 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.11 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.8 m -56.94 -36.91 70.8 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.3 -41.03 98.93 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 118.738 -1.185 . . . . 0.0 110.49 -178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -64.69 -38.34 82.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.769 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -58.38 -43.39 88.45 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 119.819 -0.753 . . . . 0.0 111.06 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 15' ' ' PHE . 20.7 m -74.66 -39.03 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.169 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.505 ' O ' ' OG ' ' A' ' 19' ' ' SER . 68.2 t80 -62.19 -47.49 84.27 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.792 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -63.19 -48.7 77.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.953 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.34 -51.14 60.29 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.829 -179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.473 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 77.2 m80 -63.08 -46.89 85.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.32 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.523 ' N ' ' OE2' ' A' ' 32' ' ' GLU . 29.3 m -60.97 -40.18 92.42 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.477 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.87 -47.11 68.31 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.776 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.09 -44.63 96.24 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -132.78 144.56 50.33 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.873 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.524 ' O ' ' O ' ' A' ' 27' ' ' LYS . . . 73.95 19.53 79.76 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 121.232 -0.509 . . . . 0.0 112.237 177.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.483 ' O ' ' O ' ' A' ' 27' ' ' LYS . 89.4 m-20 59.91 138.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 117.253 0.526 . . . . 0.0 109.949 -179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -58.46 -38.46 77.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.912 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -62.62 -35.03 78.25 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -177.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.524 ' O ' ' O ' ' A' ' 23' ' ' GLY . 97.7 mttt -125.39 147.43 49.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.145 0.498 . . . . 0.0 111.729 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tt -107.31 131.71 53.92 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -103.92 151.8 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.584 ' HZ3' ' CG ' ' A' ' 55' ' ' ASP . 66.0 tttt -56.64 -37.31 70.59 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.339 -0.944 . . . . 0.0 110.565 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -55.92 -40.95 73.84 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 118.324 -1.35 . . . . 0.0 107.945 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.523 ' OE2' ' N ' ' A' ' 19' ' ' SER . 81.0 tt0 -66.14 -40.93 90.99 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.732 177.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 33.9 tp -67.19 -47.96 69.35 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -60.63 -45.89 92.35 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.763 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.78 -37.94 87.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.157 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 tt -64.24 -43.97 93.24 Favored 'General case' 0 CA--C 1.522 -0.113 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.661 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.436 ' N ' HD21 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -67.84 -39.61 83.83 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.158 178.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.68 -44.98 95.92 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.096 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.2 m -70.8 -42.02 70.84 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -74.09 -33.46 63.64 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.5 mt -97.17 148.13 23.38 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.598 ' C ' ' H ' ' A' ' 44' ' ' PHE . 24.6 m -55.13 -29.73 58.31 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 113.985 -1.461 . . . . 0.0 108.602 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -45.36 -10.46 0.02 OUTLIER Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.321 -1.111 . . . . 0.0 110.321 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.598 ' H ' ' C ' ' A' ' 42' ' ' SER . 55.5 t80 -50.08 -43.92 51.6 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.4 tp -62.09 -36.56 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.431 0.634 . . . . 0.0 109.571 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.68 ' C ' ' H ' ' A' ' 48' ' ' GLN . 89.1 m-20 -87.89 11.43 15.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.56 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.61 19.87 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.68 ' H ' ' C ' ' A' ' 46' ' ' ASP . 93.2 mt-30 -62.84 158.31 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 56.1 pttt -40.74 -16.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.667 -178.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 48' ' ' GLN . 92.3 m-20 -54.86 -34.56 63.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.183 0.516 . . . . 0.0 110.367 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 20.9 m -57.05 -11.79 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.356 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 92.2 m-20 -55.7 -34.62 65.25 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.49 -27.35 62.46 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.583 0.706 . . . . 0.0 109.974 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 5.0 p -52.36 -35.96 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.584 ' CG ' ' HZ3' ' A' ' 30' ' ' LYS . 55.9 t0 -60.11 -42.37 94.58 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.41 178.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -63.92 -38.69 92.02 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.601 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 m -69.48 -31.12 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 119.927 -0.709 . . . . 0.0 112.508 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.8 mmm -55.79 -37.5 68.68 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.613 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -59.66 -42.4 92.74 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.15 -40.86 86.77 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.56 -39.95 80.82 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 120.102 -0.639 . . . . 0.0 112.119 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 60.7 t0 -89.85 112.43 23.77 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.677 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.11 -33.43 76.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -57.17 -38.15 73.16 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.564 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.46 20.76 79.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.624 ' C ' ' H ' ' A' ' 68' ' ' GLU . 44.6 p30 -88.69 3.63 50.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.04 -7.02 0.21 Allowed Glycine 0 CA--C 1.529 0.913 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.624 ' H ' ' C ' ' A' ' 66' ' ' ASP . 84.4 tt0 -108.21 145.25 34.51 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.8 m -124.16 150.1 28.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 CA-C-O 121.973 0.892 . . . . 0.0 112.267 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -104.01 164.79 11.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 113.895 -1.502 . . . . 0.0 109.027 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -51.42 -41.29 60.67 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.94 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.94 -42.12 89.01 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 119.871 -0.732 . . . . 0.0 111.012 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -68.58 -38.3 80.58 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.206 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -62.52 -44.67 95.78 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.7 p -59.77 -39.31 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.667 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.2 m -76.13 -32.02 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.522 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.77 -42.47 93.39 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.752 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 m -73.24 -33.04 40.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.798 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.86 86.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.149 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.88 95.86 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.071 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.72 -36.44 84.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.225 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.7 m -52.89 -37.72 60.86 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.539 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.572 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 78.0 t -59.25 -36.43 63.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.459 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.79 -31.61 72.62 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.6 ttp -57.42 -38.44 74.34 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.58 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.726 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 32.0 p-10 -60.18 -42.42 94.98 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 119.279 -0.969 . . . . 0.0 109.712 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.726 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 93.6 m-20 -63.58 -38.47 91.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.765 178.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -60.12 -40.86 91.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.183 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.22 -38.92 63.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.973 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.27 -34.83 61.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.584 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.17 -32.38 72.11 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.641 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -99.58 120.23 39.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.447 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.569 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.5 m -63.28 157.56 22.51 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.904 0.383 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -59.41 -37.48 78.14 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.146 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 45.4 mt -63.81 -39.25 93.79 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.286 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.76 -39.37 90.97 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.522 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.8 m -62.97 -43.12 99.66 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.299 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.61 81.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.196 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 45.1 ttm -59.03 -42.83 91.14 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.677 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.18 -31.88 65.88 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.14 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.5 m -56.88 -36.89 70.62 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.959 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.44 -40.84 98.23 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 118.702 -1.199 . . . . 0.0 110.475 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -64.76 -38.29 82.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.76 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -58.45 -43.41 88.82 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.84 -0.744 . . . . 0.0 111.003 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.445 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 20.9 m -74.6 -39.01 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.153 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.514 ' O ' ' OG ' ' B' ' 19' ' ' SER . 68.4 t80 -62.25 -47.4 84.55 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.843 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -63.24 -48.69 77.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.992 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.29 -51.15 60.29 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 120.069 -0.652 . . . . 0.0 111.873 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.474 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 77.2 m80 -63.0 -46.9 85.47 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.424 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.52 ' N ' ' OE2' ' B' ' 32' ' ' GLU . 28.5 m -60.94 -40.22 92.44 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.561 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.93 -47.08 67.96 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.728 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.02 -44.72 96.12 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -132.8 144.52 50.29 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.817 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.527 ' O ' ' O ' ' B' ' 27' ' ' LYS . . . 73.99 19.47 79.77 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.209 177.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.48 ' O ' ' O ' ' B' ' 27' ' ' LYS . 89.6 m-20 59.96 138.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.965 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -58.45 -38.41 77.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.902 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -62.71 -34.97 78.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -177.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.527 ' O ' ' O ' ' B' ' 23' ' ' GLY . 97.7 mttt -125.47 147.45 49.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.091 0.472 . . . . 0.0 111.825 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -107.31 131.65 53.99 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -103.84 151.79 22.68 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.572 ' HZ3' ' CG ' ' B' ' 55' ' ' ASP . 66.0 tttt -56.75 -37.23 70.75 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.554 -178.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -55.83 -41.03 73.66 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 118.328 -1.349 . . . . 0.0 107.996 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.52 ' OE2' ' N ' ' B' ' 19' ' ' SER . 81.1 tt0 -66.14 -40.89 90.94 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.787 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 33.8 tp -67.17 -47.98 69.34 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -60.62 -45.87 92.39 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.741 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.84 -37.9 87.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.155 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.33 -43.85 93.37 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 120.079 -0.649 . . . . 0.0 110.62 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.442 ' N ' HD21 ' B' ' 37' ' ' LEU . 0.5 OUTLIER -67.95 -39.64 83.4 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.081 178.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.65 -44.98 95.96 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.07 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -70.8 -42.11 70.73 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -73.98 -33.59 63.9 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -177.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 69.4 mt -97.17 148.07 23.44 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.598 ' C ' ' H ' ' B' ' 44' ' ' PHE . 24.7 m -55.09 -29.76 58.26 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 113.902 -1.499 . . . . 0.0 108.641 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -45.22 -10.48 0.02 OUTLIER Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.598 ' H ' ' C ' ' B' ' 42' ' ' SER . 55.7 t80 -50.12 -43.9 52.05 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.5 tp -62.05 -36.62 82.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.405 0.622 . . . . 0.0 109.618 177.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.681 ' C ' ' H ' ' B' ' 48' ' ' GLN . 88.8 m-20 -87.74 11.34 15.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.556 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.6 19.75 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.681 ' H ' ' C ' ' B' ' 46' ' ' ASP . 93.2 mt-30 -62.7 158.22 19.04 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 56.2 pttt -40.82 -15.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.67 -178.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' B' ' 48' ' ' GLN . 92.2 m-20 -54.9 -34.65 63.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.142 0.496 . . . . 0.0 110.297 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.451 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 20.7 m -56.87 -11.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.402 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' B' ' 49' ' ' LYS . 92.3 m-20 -55.62 -34.67 65.11 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 -27.49 62.4 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 121.586 0.707 . . . . 0.0 109.912 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.451 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 5.0 p -52.24 -36.05 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.572 ' CG ' ' HZ3' ' B' ' 30' ' ' LYS . 55.9 t0 -60.03 -42.49 94.49 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.35 178.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -63.85 -38.73 92.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.553 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 m -69.45 -31.15 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 120.006 -0.678 . . . . 0.0 112.48 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.8 mmm -55.88 -37.4 68.76 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.652 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -59.71 -42.36 92.86 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.11 -40.82 86.92 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.73 -39.85 80.18 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.07 -0.652 . . . . 0.0 112.063 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.54 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 60.8 t0 -89.99 112.4 23.79 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.641 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.04 -33.46 76.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -57.14 -38.19 73.14 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.531 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.54 20.67 79.49 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.61 ' C ' ' H ' ' B' ' 68' ' ' GLU . 44.8 p30 -88.79 3.68 50.19 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.03 -6.97 0.21 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.61 ' H ' ' C ' ' B' ' 66' ' ' ASP . 84.4 tt0 -108.24 145.31 34.49 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 25.5 m -124.12 150.07 28.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 CA-C-O 121.968 0.89 . . . . 0.0 112.27 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -104.03 164.84 11.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 113.847 -1.524 . . . . 0.0 109.014 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -51.45 -41.28 60.74 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.863 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.9 -42.22 89.06 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.016 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -68.58 -38.26 80.55 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 119.816 -0.753 . . . . 0.0 110.206 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -62.51 -44.65 95.84 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 p -59.84 -39.27 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.65 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 33.1 m -76.02 -32.09 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.513 178.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.86 -42.36 93.5 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.739 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.7 m -73.3 -33.01 39.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.709 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.79 86.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.091 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.47 -42.83 95.69 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.032 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 63.9 mt -64.79 -36.42 84.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.175 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 75.1 m -52.82 -37.82 60.5 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.533 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.568 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 76.7 t -59.1 -36.55 63.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.458 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.78 -31.54 72.53 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 4.7 ttp -57.59 -38.4 74.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.476 -178.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.721 ' OD1' ' N ' ' B' ' 87' ' ' ASN . 32.1 p-10 -60.21 -42.36 94.98 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 119.184 -1.007 . . . . 0.0 109.716 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.721 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 93.6 m-20 -63.61 -38.43 91.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.714 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.17 -40.79 91.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.146 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.26 -38.94 63.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.305 -0.862 . . . . 0.0 109.999 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.25 -34.88 61.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.531 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.14 -32.45 72.16 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.552 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -99.51 120.28 39.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.42 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.56 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' B' ' 40' ' ' GLU . 53.2 p . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.658 0.266 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -61.91 -37.72 85.68 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.771 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 tp -61.41 -43.13 99.41 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.035 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.39 -42.31 88.07 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.048 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.6 m -61.61 -42.8 99.39 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.826 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.09 -41.53 86.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.927 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.0 ttp -63.19 -44.6 94.92 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.34 -31.52 67.66 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.098 0.475 . . . . 0.0 110.15 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.4 m -56.3 -36.23 68.42 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.821 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.11 -42.63 98.88 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.721 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.413 HG22 HD11 ' A' ' 12' ' ' ILE . 74.9 mt -66.13 -44.34 91.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.001 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -61.28 -41.52 97.08 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.413 -0.515 . . . . 0.0 112.035 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -73.95 -38.76 50.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.567 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -63.25 -49.47 74.01 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.422 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.47 -46.87 84.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.196 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.66 87.44 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 120.059 -0.657 . . . . 0.0 111.515 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.609 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 85.7 t60 -64.22 -47.45 79.63 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.581 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.5 p -63.39 -35.68 81.19 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.033 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.55 -40.22 94.15 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.336 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -59.92 -41.99 92.95 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.541 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -127.67 151.5 48.88 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.928 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.08 -162.73 42.58 Favored Glycine 0 C--N 1.332 0.355 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -71.47 136.93 47.83 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -61.3 -39.56 90.92 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.432 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -68.01 -33.81 75.32 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -115.68 146.68 41.63 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -107.18 131.78 53.78 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.02 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -104.62 151.84 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.77 -37.93 71.78 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.709 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -55.19 -40.7 71.02 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 118.86 -1.136 . . . . 0.0 108.006 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.609 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 96.5 mt-10 -67.67 -38.76 84.19 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.521 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.77 -46.28 85.98 Favored 'General case' 0 C--N 1.345 0.373 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -59.73 -43.99 93.96 Favored 'General case' 0 N--CA 1.433 -1.288 0 C-N-CA 119.423 -0.911 . . . . 0.0 110.635 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -64.06 -41.13 97.48 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.446 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.5 tp -65.34 -45.14 85.38 Favored 'General case' 0 CA--C 1.527 0.065 0 C-N-CA 119.906 -0.718 . . . . 0.0 112.253 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -69.49 -42.73 74.39 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.823 -0.751 . . . . 0.0 112.143 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.37 -43.39 94.66 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 119.442 -0.903 . . . . 0.0 111.6 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -71.07 -42.48 69.33 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.488 ' O ' ' OG ' ' B' ' 2' ' ' SER . 77.3 mm-40 -74.51 -32.9 62.66 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -177.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.53 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 22.2 tp -100.14 123.69 44.68 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 119.654 -0.818 . . . . 0.0 112.011 -177.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.508 ' C ' ' H ' ' A' ' 44' ' ' PHE . 86.2 p -62.09 -27.51 68.96 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.782 0.801 . . . . 0.0 109.122 178.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.53 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -49.1 -14.29 0.45 Allowed Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 178.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.508 ' H ' ' C ' ' A' ' 42' ' ' SER . 86.8 t80 -51.47 -41.76 61.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.706 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.05 -42.08 84.66 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.055 -1.058 . . . . 0.0 108.89 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -67.35 -33.04 74.4 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.026 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.595 ' O ' ' C ' ' A' ' 48' ' ' GLN . . . -58.92 -33.27 70.38 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -175.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.595 ' C ' ' O ' ' A' ' 47' ' ' ALA . 94.1 mt-30 15.82 -126.84 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 118.416 0.553 . . . . 0.0 111.604 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -59.02 -31.62 68.99 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.078 0.466 . . . . 0.0 110.371 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 47' ' ' ALA . 92.4 m-20 -55.42 -31.13 61.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.006 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.561 ' N ' ' O ' ' A' ' 47' ' ' ALA . 6.0 p -52.31 -31.88 15.43 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.039 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.523 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.74 -36.29 67.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.996 0.427 . . . . 0.0 110.595 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -27.32 61.02 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.919 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.441 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 5.0 p -51.71 -37.45 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -64.8 -41.37 95.86 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.826 -0.749 . . . . 0.0 110.172 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.73 -39.95 95.68 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 m -71.31 -30.82 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 120.031 -0.668 . . . . 0.0 112.334 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.0 mmm -57.06 -37.98 72.6 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.856 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -60.78 -44.83 96.29 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.104 -0.639 . . . . 0.0 111.688 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.81 -41.03 79.23 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.322 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -67.55 -38.03 83.57 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 120.684 -0.406 . . . . 0.0 112.08 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.542 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 45.6 t0 -88.71 108.35 19.43 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.52 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.15 -34.68 78.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.456 0.646 . . . . 0.0 109.267 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -58.67 -39.14 79.81 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.037 -178.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.43 8.06 85.56 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 107.896 -2.081 . . . . 0.0 107.896 -177.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.663 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 44.5 p30 -63.27 -33.82 76.33 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 114.07 -1.065 . . . . 0.0 112.995 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.663 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.82 -6.02 66.93 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.51 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 59.2 mp0 -112.21 156.24 22.66 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.9 m -124.05 151.54 29.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 122.237 1.017 . . . . 0.0 113.275 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 55.9 t0 -104.3 163.27 12.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 113.369 -1.741 . . . . 0.0 108.646 178.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.485 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 74.1 t80 -51.2 -42.26 60.78 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.225 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -59.52 -41.93 91.1 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.167 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -65.8 -38.41 88.89 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.876 -0.729 . . . . 0.0 110.065 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -61.78 -41.58 97.9 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.943 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 t -60.02 -45.02 95.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.03 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.7 m -71.24 -34.85 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.986 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 77' ' ' LEU . 2.8 tm? -58.98 -44.79 91.62 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.047 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 m -72.83 -37.37 54.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.469 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.46 -43.31 97.7 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.821 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.39 99.78 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.641 0.734 . . . . 0.0 110.176 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.0 -39.37 94.57 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.52 -178.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.5 m -54.75 -37.14 65.6 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.492 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 70.9 t -59.13 -34.1 52.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.968 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.1 -36.77 75.71 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.29 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.1 mmm -57.99 -38.01 75.31 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.634 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -59.69 -43.8 93.9 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.303 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -64.69 -45.98 84.33 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.116 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -67.41 -36.66 81.73 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.204 0.526 . . . . 0.0 111.502 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -53.99 -39.26 65.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.052 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.34 -34.67 61.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.07 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -57.56 -33.24 67.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.396 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -103.54 136.88 42.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.9 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.548 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.488 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 53.1 p -69.56 161.32 29.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.672 0.272 . . . . 0.0 110.381 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -61.92 -37.57 85.15 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.835 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 16.5 tp -61.49 -43.08 99.5 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.053 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.4 -42.35 87.99 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.073 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 41.3 m -61.52 -42.81 99.37 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.921 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.15 -41.39 86.11 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.968 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 62.9 ttp -63.08 -44.81 94.72 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.3 -31.52 67.58 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.054 0.454 . . . . 0.0 110.105 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.7 m -56.23 -36.29 68.33 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.815 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.1 -42.64 98.9 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 118.532 -1.267 . . . . 0.0 110.764 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.428 HD11 HG22 ' B' ' 12' ' ' ILE . 74.7 mt -66.08 -44.44 91.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.955 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -61.22 -41.56 97.07 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.436 -0.506 . . . . 0.0 112.032 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -73.87 -38.84 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 119.775 -0.77 . . . . 0.0 110.6 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -63.29 -49.38 74.24 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.359 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.59 -46.87 83.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.165 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.73 87.53 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.602 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.606 ' NE2' ' O ' ' B' ' 32' ' ' GLU . 85.7 t60 -64.17 -47.45 79.8 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.633 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 82.6 p -63.39 -35.7 81.27 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.952 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.16 94.06 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 121.1 -0.572 . . . . 0.0 112.331 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -59.95 -41.97 93.02 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.545 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -127.68 151.52 48.85 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.921 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.11 -162.73 42.69 Favored Glycine 0 C--N 1.331 0.305 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 178.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.46 136.96 47.86 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -61.24 -39.64 91.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.208 0.528 . . . . 0.0 110.425 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -68.0 -33.86 75.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -115.72 146.69 41.66 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 tp -107.16 131.75 53.8 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.005 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -104.6 151.94 23.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.91 -37.91 72.09 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 118.996 -1.081 . . . . 0.0 110.697 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -55.11 -40.73 70.79 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 118.805 -1.158 . . . . 0.0 108.014 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.606 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 96.4 mt-10 -67.66 -38.76 84.23 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.506 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.82 -46.25 85.93 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -59.73 -44.02 93.96 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.556 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -64.12 -41.06 97.37 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.454 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 35.0 tp -65.44 -45.05 85.34 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 119.852 -0.739 . . . . 0.0 112.237 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -69.63 -42.58 74.12 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.789 -0.765 . . . . 0.0 112.138 -179.783 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.47 -43.28 94.7 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.669 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.6 m -71.2 -42.37 69.08 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.501 ' O ' ' OG ' ' A' ' 2' ' ' SER . 77.3 mm-40 -74.58 -32.8 62.5 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.538 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 22.2 tp -100.21 123.68 44.74 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 119.648 -0.821 . . . . 0.0 112.081 -177.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.504 ' C ' ' N ' ' B' ' 44' ' ' PHE . 86.2 p -62.11 -27.46 68.94 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.758 0.79 . . . . 0.0 109.084 178.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.538 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -49.05 -14.32 0.44 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 178.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.504 ' N ' ' C ' ' B' ' 42' ' ' SER . 86.5 t80 -51.46 -41.71 61.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.17 -42.03 85.12 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.875 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -67.32 -33.1 74.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.958 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.599 ' O ' ' C ' ' B' ' 48' ' ' GLN . . . -58.86 -33.31 70.33 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.599 ' C ' ' O ' ' B' ' 47' ' ' ALA . 94.1 mt-30 15.8 -126.74 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.398 0.544 . . . . 0.0 111.601 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -59.11 -31.56 69.04 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.054 0.454 . . . . 0.0 110.382 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' B' ' 47' ' ' ALA . 92.3 m-20 -55.44 -31.04 61.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.986 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' B' ' 47' ' ' ALA . 6.1 p -52.41 -31.9 15.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.447 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.75 -36.29 67.14 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.921 0.391 . . . . 0.0 110.469 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.96 -27.22 60.99 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.943 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 5.0 p -51.86 -37.41 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -64.73 -41.32 96.03 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.323 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -62.73 -39.99 95.8 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 m -71.24 -30.81 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 120.105 -0.638 . . . . 0.0 112.356 -177.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.9 mmm -57.13 -37.97 72.78 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.869 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -60.75 -44.86 96.18 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.665 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.72 -41.18 79.42 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.366 -0.533 . . . . 0.0 112.293 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -67.43 -38.04 83.93 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.669 -0.413 . . . . 0.0 112.112 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.544 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 45.8 t0 -88.68 108.28 19.38 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.561 -179.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.19 -34.62 77.91 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -58.65 -39.16 79.8 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.105 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.48 8.08 85.67 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 107.873 -2.091 . . . . 0.0 107.873 -177.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.67 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 44.6 p30 -63.33 -33.82 76.35 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 114.042 -1.079 . . . . 0.0 112.961 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.67 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.85 -5.96 66.8 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.484 -1.447 . . . . 0.0 109.484 -178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.489 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 59.2 mp0 -112.27 156.23 22.74 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.3 m -124.06 151.57 29.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 122.271 1.034 . . . . 0.0 113.264 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 55.9 t0 -104.3 163.28 12.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 113.357 -1.747 . . . . 0.0 108.615 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.52 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 73.8 t80 -51.14 -42.36 60.69 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.184 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -59.54 -41.87 91.03 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.214 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -65.66 -38.64 89.89 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.12 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -61.64 -41.56 97.67 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.021 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 t -60.0 -45.0 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.042 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.24 -34.9 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 119.528 -0.869 . . . . 0.0 110.029 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.517 ' CD1' ' C ' ' B' ' 77' ' ' LEU . 2.8 tm? -58.89 -44.88 91.25 Favored 'General case' 0 C--N 1.339 0.121 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.091 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.0 m -72.83 -37.36 54.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 119.766 -0.773 . . . . 0.0 111.412 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.41 -43.36 97.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.39 99.81 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.698 0.761 . . . . 0.0 110.164 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.94 -39.36 94.38 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.609 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 43.6 m -54.67 -37.19 65.43 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.537 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.0 -34.25 52.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.006 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.07 -36.71 75.53 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.288 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 89.1 mmm -57.98 -38.05 75.35 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.649 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -59.6 -43.9 93.58 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.333 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -64.65 -46.0 84.39 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.132 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -67.24 -36.75 82.3 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.216 0.532 . . . . 0.0 111.537 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -54.08 -39.26 66.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.967 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.3 -34.62 61.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.088 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -57.58 -33.27 68.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.368 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.59 137.0 42.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.554 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 m . . . . . 0 C--O 1.235 0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.56 -37.52 84.1 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.732 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.0 tp -60.96 -42.52 98.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.843 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.59 ' OE2' ' N ' ' B' ' 42' ' ' SER . 97.4 mt-10 -67.4 -39.57 85.57 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.829 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -61.41 -43.39 98.95 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.919 -0.712 . . . . 0.0 110.677 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.65 -42.0 78.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.449 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.7 ttp -62.95 -44.06 97.09 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -58.84 -31.18 68.27 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 120.926 0.393 . . . . 0.0 110.102 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.8 m -56.14 -36.35 68.17 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.252 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.4 mt -60.95 -40.64 94.09 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.606 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.58 -47.6 90.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.503 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -60.89 -40.97 95.07 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.566 -0.453 . . . . 0.0 112.176 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -73.22 -38.75 55.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.013 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -61.93 -51.8 66.65 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 119.591 -0.843 . . . . 0.0 110.697 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -65.18 -45.47 84.72 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 113.024 0.749 . . . . 0.0 113.024 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.13 -52.42 55.38 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.656 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.479 ' CG ' ' CD1' ' A' ' 36' ' ' LEU . 90.6 m-70 -63.35 -45.03 93.08 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.119 -0.633 . . . . 0.0 111.841 179.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 22' ' ' GLU . 86.4 p -63.58 -35.04 79.18 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.709 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.27 -40.61 94.79 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.68 -38.45 81.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.38 -0.41 . . . . 0.0 111.737 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.499 ' O ' ' O ' ' A' ' 19' ' ' SER . 77.6 mm-40 -116.19 152.69 33.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.072 0.463 . . . . 0.0 111.627 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 22' ' ' GLU . . . 39.79 -161.83 0.01 OUTLIER Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 27' ' ' LYS . 88.4 m-20 -70.76 136.08 48.64 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.418 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -60.53 -39.32 87.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.076 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -64.18 -33.5 75.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.926 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 24' ' ' ASP . 85.6 mttt -116.47 143.08 46.04 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.59 0.709 . . . . 0.0 112.119 -179.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -106.62 131.05 54.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.724 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 t -101.86 147.27 26.71 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -55.99 -36.35 67.78 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 118.685 -1.206 . . . . 0.0 110.023 -178.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -55.53 -40.79 72.27 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 118.722 -1.191 . . . . 0.0 108.097 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.465 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 96.8 mt-10 -65.92 -36.67 84.02 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.64 -45.75 88.8 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.484 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.53 -43.79 93.36 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 118.817 -1.153 . . . . 0.0 110.401 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.88 -41.31 87.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.087 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.479 ' CD1' ' CG ' ' A' ' 18' ' ' HIS . 38.7 tp -65.8 -47.26 75.71 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.065 -0.654 . . . . 0.0 112.066 -178.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.561 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -70.28 -40.76 74.14 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.146 -0.621 . . . . 0.0 111.647 179.569 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -63.46 -46.71 84.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.272 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -71.66 -43.88 65.26 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.75 -33.02 62.26 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.505 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.2 tp -99.52 140.24 33.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.276 0.56 . . . . 0.0 111.954 -177.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.639 ' C ' ' H ' ' A' ' 44' ' ' PHE . 24.0 t -51.57 -26.62 9.01 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.505 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -45.49 -8.93 0.02 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.639 ' H ' ' C ' ' A' ' 42' ' ' SER . 48.1 t80 -48.71 -42.5 35.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.42 -36.67 78.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.44 0.638 . . . . 0.0 109.366 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' GLY . 58.8 t0 -80.23 10.91 3.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.922 -1.036 . . . . 0.0 110.739 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.537 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -61.69 -10.38 8.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.466 -178.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.537 ' O ' ' O ' ' A' ' 47' ' ' ALA . 94.0 mt-30 -49.34 -162.85 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.382 0.61 . . . . 0.0 111.951 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -54.73 -20.64 8.78 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.352 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -53.58 -33.42 54.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.27 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.481 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 22.5 m -57.61 -17.05 6.6 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.78 -178.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -56.2 -35.86 67.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.137 0.494 . . . . 0.0 109.76 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.16 -26.95 61.42 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.881 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.481 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 4.7 p -52.13 -36.85 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.318 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.47 -42.1 98.6 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.215 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.01 -39.92 95.18 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -71.36 -30.1 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.0 mmm -55.05 -35.68 64.76 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -58.33 -41.98 85.78 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.959 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.12 -40.02 86.75 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.428 -0.509 . . . . 0.0 112.275 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -67.74 -38.13 83.09 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.469 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -91.18 70.78 6.22 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.386 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.91 -35.1 77.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.607 HD22 ' CG ' ' A' ' 66' ' ' ASP . 43.2 p-10 -64.62 -31.22 72.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.91 178.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.58 11.2 69.01 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.119 -0.562 . . . . 0.0 111.934 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.667 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 56.8 p30 -61.28 -34.66 75.56 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.667 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 91.76 -0.34 73.32 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -178.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -113.62 158.09 21.27 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.624 -0.788 . . . . 0.0 109.376 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -106.18 131.96 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.285 0.564 . . . . 0.0 110.679 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -100.99 157.52 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.132 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -52.78 -41.31 63.98 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.456 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -59.05 -41.55 88.14 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.374 178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.86 -38.45 83.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.408 0.623 . . . . 0.0 110.422 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -63.06 -46.06 89.25 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.56 -39.84 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.959 -178.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.84 -33.05 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 120.231 -0.588 . . . . 0.0 109.506 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.62 -44.43 89.95 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.688 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.57 -33.87 46.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.158 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.99 86.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.73 93.75 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.298 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.95 -37.46 87.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.03 0.443 . . . . 0.0 110.171 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.0 m -54.18 -37.08 64.09 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.499 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.32 -35.54 58.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.776 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.33 88.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.499 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.48 -40.07 77.78 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -58.69 -43.81 90.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.373 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -63.03 -41.37 99.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.576 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -65.99 -35.1 79.66 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.659 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -53.17 -39.3 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.919 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -54.54 -35.09 62.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.735 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.53 -32.39 72.44 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.486 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -102.53 136.59 42.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.606 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.597 -179.896 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -62.79 153.93 31.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.563 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.8 -37.34 84.01 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.686 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 19.1 tp -60.98 -42.55 98.58 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.781 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.583 ' OE2' ' N ' ' A' ' 42' ' ' SER . 97.4 mt-10 -67.49 -39.45 85.21 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.727 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.3 m -61.5 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.629 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.64 -41.98 78.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.414 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.7 ttp -63.02 -44.02 97.11 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -58.82 -31.22 68.27 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.005 0.431 . . . . 0.0 110.153 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.6 m -56.17 -36.27 68.14 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.355 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.94 -40.68 94.19 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.213 -0.995 . . . . 0.0 110.601 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.63 -47.53 90.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.486 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.88 -40.87 94.65 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.51 -0.476 . . . . 0.0 112.234 -178.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 m -73.35 -38.67 54.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 119.992 -0.683 . . . . 0.0 111.008 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -61.88 -51.92 66.23 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.617 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -65.06 -45.6 84.67 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -52.48 55.78 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 119.801 -0.76 . . . . 0.0 111.731 -178.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.475 ' CG ' ' CD1' ' B' ' 36' ' ' LEU . 90.7 m-70 -63.29 -45.08 93.08 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.903 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.502 ' O ' ' O ' ' B' ' 22' ' ' GLU . 86.6 p -63.55 -35.09 79.34 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.751 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.22 -40.57 94.87 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -59.61 -38.53 81.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.478 -0.361 . . . . 0.0 111.745 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' B' ' 19' ' ' SER . 77.8 mm-40 -116.2 152.72 33.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.038 0.447 . . . . 0.0 111.595 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' B' ' 22' ' ' GLU . . . 39.74 -161.89 0.01 OUTLIER Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.469 ' O ' ' O ' ' B' ' 27' ' ' LYS . 88.5 m-20 -70.79 136.1 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.428 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -60.53 -39.31 87.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.064 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -64.2 -33.43 75.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.939 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' B' ' 24' ' ' ASP . 85.8 mttt -116.51 143.16 45.94 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.591 0.71 . . . . 0.0 112.045 -179.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -106.69 131.04 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.662 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.6 t -101.88 147.31 26.67 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -55.85 -36.37 67.46 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 118.662 -1.215 . . . . 0.0 110.135 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -55.55 -40.64 72.16 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 118.706 -1.198 . . . . 0.0 108.168 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.458 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 96.8 mt-10 -65.98 -36.7 84.03 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.72 -45.64 89.03 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.517 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -59.65 -43.75 93.77 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 118.82 -1.152 . . . . 0.0 110.362 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.92 -41.33 87.23 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.059 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.475 ' CD1' ' CG ' ' B' ' 18' ' ' HIS . 38.5 tp -65.66 -47.36 75.81 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 120.048 -0.661 . . . . 0.0 112.097 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -70.16 -40.75 74.53 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.742 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -63.42 -46.67 85.27 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.956 -0.697 . . . . 0.0 111.288 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.1 m -71.74 -43.94 64.95 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.72 -33.0 62.3 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.505 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.3 tp -99.67 140.31 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.293 0.568 . . . . 0.0 111.86 -177.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.613 ' C ' ' H ' ' B' ' 44' ' ' PHE . 23.9 t -51.67 -26.56 9.37 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.505 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -45.51 -8.91 0.02 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.613 ' H ' ' C ' ' B' ' 42' ' ' SER . 48.2 t80 -48.74 -42.44 35.32 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.37 -36.74 78.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.406 0.622 . . . . 0.0 109.368 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' B' ' 43' ' ' GLY . 58.8 t0 -80.25 10.99 3.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.788 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.528 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -61.74 -10.34 8.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.473 -178.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.528 ' O ' ' O ' ' B' ' 47' ' ' ALA . 94.0 mt-30 -49.36 -162.76 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.369 0.604 . . . . 0.0 111.992 -179.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -54.79 -20.73 9.17 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.373 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.43 -33.49 54.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.324 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.48 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 22.6 m -57.53 -17.11 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.745 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -56.19 -35.87 67.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.119 0.485 . . . . 0.0 109.774 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.16 -26.87 61.29 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.858 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 4.6 p -52.15 -36.95 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.279 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.47 -42.0 98.59 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.32 -0.952 . . . . 0.0 110.194 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.13 -39.74 94.68 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -71.43 -30.18 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 92.9 mmm -55.03 -35.64 64.65 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -58.36 -42.04 86.08 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.984 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.05 -40.03 87.05 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.277 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.562 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 0.5 OUTLIER -67.72 -38.18 83.23 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.485 179.8 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -91.08 70.76 6.31 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.471 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.89 -35.14 77.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.626 HD22 ' CG ' ' B' ' 66' ' ' ASP . 43.5 p-10 -64.61 -31.19 72.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.949 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.62 11.05 69.16 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 121.059 -0.591 . . . . 0.0 111.906 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.657 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 56.7 p30 -61.12 -34.71 75.41 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.657 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 91.82 -0.32 73.1 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -113.68 158.18 21.22 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 114.602 -0.799 . . . . 0.0 109.332 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -106.25 131.97 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.365 0.602 . . . . 0.0 110.532 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -101.02 157.46 16.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.215 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -52.71 -41.32 63.81 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.481 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -58.99 -41.64 88.1 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.435 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.9 -38.42 82.96 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.403 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -63.04 -46.12 89.05 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.3 p -60.58 -39.78 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.964 -178.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.84 -33.02 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 120.281 -0.568 . . . . 0.0 109.577 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.62 -44.52 89.98 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.685 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.55 -33.76 45.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.199 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.01 87.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.655 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.91 94.27 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.333 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.84 -37.48 87.54 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.212 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 55.7 m -54.14 -37.23 64.14 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 87.7 t -59.1 -35.65 58.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.874 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.23 88.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.452 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.46 -40.18 77.96 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -58.57 -43.86 89.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.39 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -63.03 -41.38 99.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.567 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -65.99 -35.07 79.59 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.646 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.29 -39.23 63.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.826 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -54.54 -35.06 62.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.778 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.53 -32.38 72.43 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.501 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -102.55 136.66 41.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.515 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.607 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' B' ' 40' ' ' GLU . 61.7 m . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.814 0.34 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.92 -36.36 81.12 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.888 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.2 tp -60.38 -42.96 96.96 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.224 0.535 . . . . 0.0 109.833 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.85 -42.24 86.05 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -61.48 -43.17 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.032 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.0 -41.3 82.48 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.969 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.8 ttp -62.51 -43.15 99.52 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.69 -31.28 68.08 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.277 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.5 m -55.99 -36.14 67.54 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.267 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.15 -40.6 94.47 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.972 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.9 -48.17 85.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.407 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -61.28 -41.28 96.68 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.538 -0.465 . . . . 0.0 112.253 -178.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.613 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 18.0 m -72.5 -39.31 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.381 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.86 -46.2 90.03 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.892 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.02 -49.34 75.0 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.933 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -45.86 83.63 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.706 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 74.6 m-70 -61.7 -46.21 90.65 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.239 -0.585 . . . . 0.0 111.32 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.5 p -63.79 -36.55 84.27 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.231 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.08 -39.15 96.12 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.867 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -59.61 -41.3 90.08 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.467 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -125.12 149.86 47.45 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.946 0.403 . . . . 0.0 111.799 -179.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.84 -154.51 4.77 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' A' ' 27' ' ' LYS . 88.5 m-20 -74.47 133.53 42.36 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.173 179.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.05 -40.93 95.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.244 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -65.67 -32.87 74.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.05 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' A' ' 24' ' ' ASP . 94.8 mttt -116.37 143.02 46.08 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 112.497 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -108.1 132.05 53.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.068 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.9 t -102.29 150.39 23.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.685 0.279 . . . . 0.0 110.486 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' HZ1' HG12 ' A' ' 54' ' ' VAL . 28.8 tptp -54.35 -40.45 68.09 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.112 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -60.04 -42.31 94.17 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.622 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.467 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 97.3 mt-10 -65.81 -38.22 88.37 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.156 0.503 . . . . 0.0 110.184 178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.9 tp -62.15 -42.76 99.56 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.596 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.53 ' HZ1' ' CG2' ' A' ' 54' ' ' VAL . 12.4 tppt? -62.23 -47.47 84.25 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.054 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -63.83 -39.47 94.29 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.144 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.403 HD12 ' CD2' ' A' ' 18' ' ' HIS . 14.7 tp -67.51 -56.83 7.96 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 tp -68.8 -40.86 79.38 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.714 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.474 HE21 ' HA ' ' A' ' 44' ' ' PHE . 49.2 tp60 -62.7 -44.89 95.06 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.714 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.7 m -70.93 -44.37 66.29 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 113.242 0.831 . . . . 0.0 113.242 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.492 ' O ' ' OG ' ' B' ' 2' ' ' SER . 77.1 mm-40 -75.1 -30.7 60.96 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.458 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 16.9 tp -94.5 139.73 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.069 0.461 . . . . 0.0 111.307 -177.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.62 ' C ' ' H ' ' A' ' 44' ' ' PHE . 23.8 t -52.64 -27.37 16.89 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.458 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -45.58 -10.53 0.02 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.62 ' H ' ' C ' ' A' ' 42' ' ' SER . 62.0 t80 -50.24 -41.84 50.86 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.086 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.1 mt -59.96 -32.67 71.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.852 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.699 ' C ' ' H ' ' A' ' 48' ' ' GLN . 89.0 m-20 -81.42 9.52 7.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.716 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.22 18.85 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.699 ' H ' ' C ' ' A' ' 46' ' ' ASP . 93.8 mt-30 -71.38 -165.8 0.16 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.975 0.417 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -56.73 -24.11 47.31 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.626 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -51.49 -32.75 28.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.443 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 42.9 t -49.83 -40.34 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.149 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.81 -35.42 66.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.97 0.414 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.4 -26.89 54.68 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.982 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.53 ' CG2' ' HZ1' ' A' ' 34' ' ' LYS . 5.4 p -51.73 -36.81 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.967 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.424 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 56.6 t0 -65.8 -45.22 83.2 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.357 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -63.34 -41.1 98.85 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.1 m -72.51 -29.58 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.747 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.8 ttt -54.51 -39.91 68.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.798 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -60.29 -39.36 86.65 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.325 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.05 -42.25 94.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.531 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.31 -38.83 85.59 Favored 'General case' 0 CA--C 1.521 -0.138 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.337 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.525 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 64.3 t0 -90.91 110.3 21.53 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.564 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.35 -33.49 75.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.15 0.5 . . . . 0.0 110.176 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -57.06 -39.05 74.16 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.066 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.99 4.51 67.61 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 108.126 -1.99 . . . . 0.0 108.126 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.8 p30 -63.58 -33.54 75.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.316 -0.942 . . . . 0.0 112.865 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.653 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.23 -0.06 63.64 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -102.83 143.55 32.3 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.56 132.49 49.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-O 121.683 0.754 . . . . 0.0 112.262 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 58.2 t0 -109.4 155.51 21.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.376 -1.284 . . . . 0.0 108.992 178.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.489 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 81.8 t80 -52.39 -41.34 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.12 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -57.8 -40.47 80.0 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.064 -0.655 . . . . 0.0 110.291 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.49 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 95.1 mt-10 -67.28 -38.32 84.87 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.282 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.69 -45.19 91.18 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 76' ' ' VAL . 3.2 p -60.35 -39.2 80.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.769 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.4 ' N ' HG12 ' A' ' 75' ' ' VAL . 28.4 m -76.26 -33.48 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.159 -0.617 . . . . 0.0 109.965 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.436 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 9.6 tt -60.97 -41.66 96.81 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.2 m -72.37 -32.45 42.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 CA-C-O 121.319 0.581 . . . . 0.0 110.745 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.31 -36.66 80.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.934 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.44 94.07 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.581 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.436 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 6.5 mp -65.3 -37.32 86.78 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.126 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.3 m -53.75 -37.4 63.34 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.377 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.4 t -59.77 -34.52 55.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.391 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.61 77.15 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.195 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.4 mmm -60.48 -37.25 80.46 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.924 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -59.63 -45.46 91.9 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.912 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -66.58 -44.46 82.17 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.121 0.486 . . . . 0.0 111.537 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -62.82 -42.56 99.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.03 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -53.02 -39.26 63.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.158 -177.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.77 -35.21 63.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.518 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.05 -32.83 73.39 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.607 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -100.84 120.58 40.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.616 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.551 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.492 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 61.3 m -62.65 153.4 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.793 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.78 -36.49 81.23 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.879 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 19.3 tp -60.32 -43.1 96.69 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.735 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.68 -42.38 86.61 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 42.8 m -61.4 -43.17 99.34 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.911 -0.715 . . . . 0.0 111.096 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.3 82.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.9 ttp -62.53 -43.13 99.56 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.54 -31.54 68.04 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.038 0.447 . . . . 0.0 110.246 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.7 m -55.87 -36.16 67.3 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.336 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.14 -40.62 94.52 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.244 -0.983 . . . . 0.0 110.927 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -64.8 -48.18 85.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.415 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.35 -41.21 96.68 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.515 -0.474 . . . . 0.0 112.251 -178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.607 ' O ' ' CD2' ' B' ' 18' ' ' HIS . 18.1 m -72.37 -39.5 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 119.827 -0.749 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.78 -46.21 89.88 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 119.925 -0.71 . . . . 0.0 109.9 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.04 -49.37 74.83 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.869 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.97 83.47 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.685 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' B' ' 14' ' ' VAL . 74.3 m-70 -61.71 -46.21 90.63 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.265 -0.574 . . . . 0.0 111.275 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.6 p -63.88 -36.41 83.82 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.941 -0.704 . . . . 0.0 110.24 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.24 96.04 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.804 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -59.54 -41.32 89.77 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.461 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -125.16 149.84 47.52 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.026 0.441 . . . . 0.0 111.756 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.86 -154.51 4.8 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' B' ' 27' ' ' LYS . 88.9 m-20 -74.53 133.55 42.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.062 179.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.4 ' HZ1' ' HB3' ' B' ' 25' ' ' LYS . 8.0 ttpm? -61.1 -40.82 95.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.291 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -65.62 -32.9 74.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.102 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' B' ' 24' ' ' ASP . 94.9 mttt -116.49 142.89 46.28 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.584 0.706 . . . . 0.0 112.459 -178.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 tp -108.04 132.14 53.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.034 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 26.8 t -102.31 150.46 23.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.693 0.282 . . . . 0.0 110.477 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.401 ' HZ1' HG22 ' B' ' 54' ' ' VAL . 28.8 tptp -54.36 -40.51 68.16 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.085 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -60.02 -42.29 94.02 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.642 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.461 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 97.2 mt-10 -65.8 -38.33 88.68 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.08 0.467 . . . . 0.0 110.112 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.17 -42.52 99.35 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.671 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.527 ' HZ1' ' CG2' ' B' ' 54' ' ' VAL . 12.4 tppt? -62.52 -47.39 84.13 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.983 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -63.78 -39.54 94.52 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.129 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 14.9 tp -67.42 -56.85 7.98 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 tp -68.79 -40.85 79.39 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.719 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.471 HE21 ' HA ' ' B' ' 44' ' ' PHE . 49.3 tp60 -62.77 -44.9 94.96 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.659 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.9 m -70.94 -44.43 66.12 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.485 ' O ' ' OG ' ' A' ' 2' ' ' SER . 77.0 mm-40 -75.04 -30.68 61.12 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.459 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 16.9 tp -94.46 139.7 30.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.11 0.481 . . . . 0.0 111.307 -177.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.615 ' C ' ' H ' ' B' ' 44' ' ' PHE . 23.6 t -52.64 -27.37 16.89 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.459 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -45.61 -10.52 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.111 -1.196 . . . . 0.0 110.111 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.615 ' H ' ' C ' ' B' ' 42' ' ' SER . 62.0 t80 -50.19 -41.84 50.19 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.077 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.09 -32.54 71.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.816 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.688 ' C ' ' H ' ' B' ' 48' ' ' GLN . 88.9 m-20 -81.43 9.52 7.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.752 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.27 18.84 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.688 ' H ' ' C ' ' B' ' 46' ' ' ASP . 93.8 mt-30 -71.33 -165.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -56.77 -24.1 47.84 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.62 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -51.46 -32.78 28.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 43.2 t -49.84 -40.33 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.189 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.76 -35.44 66.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.015 0.436 . . . . 0.0 110.776 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.51 -26.78 55.5 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.971 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.527 ' CG2' ' HZ1' ' B' ' 34' ' ' LYS . 5.4 p -51.72 -36.96 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.925 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.428 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 56.4 t0 -65.66 -45.19 83.91 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.446 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -63.43 -41.02 98.67 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 21.2 m -72.55 -29.52 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.771 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.9 ttt -54.53 -39.95 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -60.21 -39.37 86.36 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.357 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.13 -42.24 94.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.514 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 70.4 mt -67.24 -38.88 85.91 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.311 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 64.3 t0 -90.93 110.33 21.57 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.613 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.35 -33.5 75.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 0.0 110.218 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -56.9 -39.26 74.09 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.065 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.03 4.54 67.88 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 108.204 -1.958 . . . . 0.0 108.204 -177.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.656 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.7 p30 -63.58 -33.45 75.63 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 114.214 -0.993 . . . . 0.0 112.952 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.656 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.23 -0.1 63.68 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -178.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -102.82 143.6 32.24 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.57 132.49 49.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 121.764 0.792 . . . . 0.0 112.21 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 58.2 t0 -109.4 155.46 21.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.276 -1.329 . . . . 0.0 108.995 178.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.484 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 82.3 t80 -52.27 -41.4 62.82 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.739 -0.784 . . . . 0.0 110.117 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -57.82 -40.38 79.87 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.327 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.492 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 95.1 mt-10 -67.36 -38.31 84.59 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.303 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.63 -45.36 90.63 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.4 HG12 ' N ' ' B' ' 76' ' ' VAL . 3.0 p -60.23 -39.17 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 119.954 -0.699 . . . . 0.0 110.907 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.4 ' N ' HG12 ' B' ' 75' ' ' VAL . 28.3 m -76.26 -33.52 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.967 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' B' ' 81' ' ' LEU . 9.6 tt -60.86 -41.73 96.47 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.925 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 m -72.29 -32.4 42.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 121.419 0.628 . . . . 0.0 110.882 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.31 -36.66 80.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.97 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.5 93.89 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.563 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' B' ' 77' ' ' LEU . 6.5 mp -65.29 -37.27 86.66 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.101 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.7 m -53.81 -37.38 63.48 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.393 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.1 t -59.73 -34.49 55.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.405 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.03 -37.64 77.42 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.118 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 89.3 mmm -60.51 -37.3 80.68 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.92 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -59.57 -45.44 91.85 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.909 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -66.66 -44.49 81.7 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.14 0.495 . . . . 0.0 111.537 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -62.84 -42.48 99.75 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.051 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -53.06 -39.33 63.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.076 -177.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -54.59 -35.32 63.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.528 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.13 -32.75 73.37 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.574 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -100.95 120.63 40.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.598 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.511 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' B' ' 40' ' ' GLU . 89.9 p . . . . . 0 C--O 1.234 0.243 0 CA-C-O 120.664 0.268 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.93 -38.21 87.59 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.641 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.52 -42.06 99.26 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 120.241 -0.584 . . . . 0.0 109.584 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.67 -41.57 99.15 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.616 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.0 m -63.75 -40.17 96.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.659 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.02 -43.9 90.93 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.367 -178.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.5 ptp -64.71 -43.34 93.77 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 119.082 -1.047 . . . . 0.0 111.307 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -57.77 -31.94 67.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.066 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.4 m -56.03 -37.69 69.53 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.824 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.0 mt -62.9 -41.24 99.37 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.638 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.571 ' CG2' ' CE1' ' A' ' 16' ' ' HIS . 78.3 mt -64.89 -45.43 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.423 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -59.5 -43.16 93.43 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.711 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.437 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 23.3 m -72.59 -36.93 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.257 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -62.63 -49.14 76.35 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.086 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CE1' ' CG2' ' A' ' 12' ' ' ILE . 55.5 m170 -63.73 -48.49 76.84 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -51.42 59.1 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 119.83 -0.748 . . . . 0.0 111.973 -178.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.54 ' CG ' ' CD1' ' A' ' 36' ' ' LEU . 77.7 m80 -62.71 -46.57 87.48 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.68 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.479 ' O ' ' O ' ' A' ' 22' ' ' GLU . 20.8 t -60.34 -40.7 91.63 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.74 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.59 -35.89 92.49 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.948 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.94 -41.3 82.49 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.242 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.496 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -127.09 140.8 52.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.628 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.7 -166.04 53.36 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.388 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -73.0 141.99 47.73 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.86 -40.66 93.8 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.205 0.526 . . . . 0.0 110.625 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -68.0 -33.44 74.63 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -115.76 142.86 46.19 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -177.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.0 tp -108.24 132.31 53.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.748 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -104.28 151.94 22.81 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -55.89 -39.4 71.52 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.193 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -59.18 -41.9 89.56 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.001 -1.08 . . . . 0.0 109.151 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.496 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.9 mt-10 -65.89 -37.37 85.95 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.456 0.646 . . . . 0.0 109.781 178.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.7 tp -61.3 -42.06 98.03 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.658 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.585 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 85.6 mttt -60.54 -43.2 97.45 Favored 'General case' 0 CA--C 1.513 -0.469 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.918 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.51 -39.25 91.62 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.96 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.54 ' CD1' ' CG ' ' A' ' 18' ' ' HIS . 45.3 tp -64.75 -52.65 55.88 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.949 -0.7 . . . . 0.0 112.596 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.7 mt -71.22 -36.27 71.81 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.966 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.23 -46.62 89.14 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.574 -0.85 . . . . 0.0 110.812 -178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.6 m -74.82 -44.96 46.5 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.487 ' O ' ' OG ' ' B' ' 2' ' ' SER . 78.4 mm-40 -75.39 -31.29 60.39 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -176.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.586 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 17.4 tp -95.25 131.97 40.74 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -175.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.633 ' C ' ' H ' ' A' ' 44' ' ' PHE . 24.7 m -54.7 -29.56 53.41 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.586 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -44.3 -9.76 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 114.301 -1.318 . . . . 0.0 109.824 178.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.633 ' H ' ' C ' ' A' ' 42' ' ' SER . 63.7 t80 -47.07 -44.08 20.63 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.441 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -64.44 -41.81 96.36 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.456 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 43' ' ' GLY . 54.8 t0 -62.8 -34.63 77.67 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.29 179.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.576 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -29.0 -67.89 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.234 -177.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.576 ' O ' ' O ' ' A' ' 47' ' ' ALA . 94.2 mt-30 32.93 -161.89 0.0 OUTLIER 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.166 0.508 . . . . 0.0 111.204 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.449 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 25.5 pttm -58.96 -29.02 66.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.445 0.641 . . . . 0.0 109.335 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.76 -33.21 55.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.174 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' A' ' 47' ' ' ALA . 6.2 p -52.85 -32.95 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.934 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.2 p30 -58.95 -32.39 69.57 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.642 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.662 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -56.95 -27.52 61.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.827 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.438 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 5.5 p -54.06 -35.64 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.103 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.585 ' OD1' ' NZ ' ' A' ' 34' ' ' LYS . 87.3 m-20 -67.41 -44.6 78.42 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 119.812 -0.755 . . . . 0.0 112.812 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -68.82 -42.8 76.74 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 54' ' ' VAL . 2.8 p -61.72 -31.23 50.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.821 -1.082 . . . . 0.0 112.057 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.6 ttt -52.52 -37.53 57.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.82 -40.0 82.85 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.07 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.49 -40.43 85.21 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.877 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.63 -38.11 80.26 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.572 ' OD2' ' N ' ' A' ' 65' ' ' GLY . 23.5 t70 -84.6 100.62 11.54 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 119.454 -0.898 . . . . 0.0 111.029 -179.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.36 -34.74 76.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.294 0.569 . . . . 0.0 110.446 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -57.38 -37.98 73.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.811 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.572 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 79.23 4.91 89.16 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 107.819 -2.112 . . . . 0.0 107.819 -177.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.674 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.9 p30 -63.25 -34.47 77.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.201 -0.999 . . . . 0.0 112.806 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.674 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 93.44 -0.26 68.06 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -111.92 153.28 26.96 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.256 -0.472 . . . . 0.0 109.765 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.6 t -108.02 133.7 52.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.443 0.64 . . . . 0.0 111.633 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 55.3 t0 -101.45 155.68 17.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.099 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.487 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 76.3 t80 -52.05 -42.77 63.4 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.44 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -59.06 -40.56 85.55 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.366 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.52 -38.4 90.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.343 0.592 . . . . 0.0 109.804 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -63.21 -41.08 99.09 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.242 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.23 -45.69 95.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.751 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.83 -33.85 53.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.913 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.9 tp -58.22 -48.84 79.12 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.91 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.81 -33.6 31.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.17 91.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.408 -178.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.06 96.22 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.979 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.7 -37.5 87.57 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.248 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.5 m -53.59 -38.38 63.88 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.245 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 80.1 t -61.44 -34.55 61.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.642 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.05 85.64 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.914 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.9 ttp -57.16 -39.63 75.63 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.485 -0.886 . . . . 0.0 108.741 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -59.03 -41.49 87.94 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.54 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.93 -43.42 98.66 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.501 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -64.63 -35.01 79.64 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.932 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.34 -39.43 64.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.298 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.25 -34.9 61.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.195 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.8 -33.63 68.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.35 137.18 42.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.494 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.587 179.927 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 90.3 p -107.68 151.68 25.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 0.0 110.488 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.84 -38.18 87.23 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.686 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.59 -42.05 99.33 Favored 'General case' 0 C--O 1.244 0.765 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.587 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.63 -41.54 99.08 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.676 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.1 m -63.79 -40.19 96.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.669 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.96 -43.97 90.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.356 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 15.6 ptp -64.64 -43.43 93.69 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.326 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -57.67 -32.01 66.9 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.16 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.4 m -56.03 -37.67 69.51 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 120.229 -0.589 . . . . 0.0 109.922 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.78 -41.28 99.19 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.673 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.568 ' CG2' ' CE1' ' B' ' 16' ' ' HIS . 78.5 mt -64.89 -45.45 94.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.349 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -59.57 -43.12 93.69 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.611 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 m -72.56 -37.13 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.14 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -62.47 -49.11 76.69 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.192 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.568 ' CE1' ' CG2' ' B' ' 12' ' ' ILE . 55.6 m170 -63.78 -48.49 76.7 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.71 -51.53 58.6 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.963 -178.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.549 ' CG ' ' CD1' ' B' ' 36' ' ' LEU . 77.7 m80 -62.61 -46.67 87.22 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.173 -0.611 . . . . 0.0 111.656 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.484 ' O ' ' O ' ' B' ' 22' ' ' GLU . 20.8 t -60.34 -40.65 91.44 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.741 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.51 -35.99 92.61 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.956 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -57.94 -41.26 82.4 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.292 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.49 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -127.2 140.87 51.94 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.595 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.66 -166.03 53.32 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -73.05 142.06 47.62 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.91 -40.68 94.06 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.217 0.532 . . . . 0.0 110.585 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -67.88 -33.64 75.13 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -178.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -115.63 142.84 46.2 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.8 tp -108.18 132.35 53.72 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 114.408 -1.269 . . . . 0.0 108.835 177.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -104.33 151.91 22.88 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -55.81 -39.47 71.37 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.172 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -59.14 -41.89 89.36 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.165 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.49 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.9 mt-10 -65.94 -37.33 85.75 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.441 0.638 . . . . 0.0 109.789 178.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 18.5 tp -61.23 -42.1 98.02 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.641 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.592 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 85.5 mttt -60.55 -43.24 97.43 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.855 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.49 -39.24 91.67 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.965 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.549 ' CD1' ' CG ' ' B' ' 18' ' ' HIS . 45.2 tp -64.82 -52.49 56.51 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 119.826 -0.75 . . . . 0.0 112.657 -178.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.4 mt -71.32 -36.13 71.47 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 119.604 -0.838 . . . . 0.0 111.97 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.406 HE22 ' HB1' ' B' ' 47' ' ' ALA . 67.3 tp60 -60.3 -46.68 89.02 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.626 -0.83 . . . . 0.0 110.813 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 50.4 m -74.77 -44.96 46.9 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.473 ' O ' ' OG ' ' A' ' 2' ' ' SER . 78.4 mm-40 -75.36 -31.42 60.51 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -176.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.608 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 17.3 tp -95.18 132.02 40.58 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -175.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.632 ' C ' ' H ' ' B' ' 44' ' ' PHE . 24.5 m -54.78 -29.54 54.51 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.608 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -44.4 -9.66 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.865 178.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.632 ' H ' ' C ' ' B' ' 42' ' ' SER . 63.9 t80 -47.1 -44.06 20.97 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.436 ' CD1' ' C ' ' B' ' 45' ' ' LEU . 0.2 OUTLIER -64.48 -41.81 96.25 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.483 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' B' ' 47' ' ' ALA . 54.8 t0 -62.83 -34.59 77.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.33 179.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.594 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -29.02 -67.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.261 -177.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.594 ' O ' ' O ' ' B' ' 47' ' ' ALA . 94.2 mt-30 32.95 -161.96 0.0 OUTLIER 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 111.198 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.448 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 25.5 pttm -58.91 -28.94 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.382 0.61 . . . . 0.0 109.376 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.85 -33.23 55.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.155 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' B' ' 47' ' ' ALA . 6.2 p -52.85 -32.89 18.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.955 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.2 p30 -59.06 -32.37 69.71 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.567 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.669 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -56.96 -27.47 61.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.879 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.442 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 5.5 p -54.06 -35.7 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.086 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.592 ' OD1' ' NZ ' ' B' ' 34' ' ' LYS . 87.2 m-20 -67.36 -44.57 78.65 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 119.77 -0.772 . . . . 0.0 112.841 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -68.88 -42.81 76.47 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.404 HG12 ' O ' ' B' ' 54' ' ' VAL . 2.8 p -61.59 -31.4 50.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.071 -177.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.5 ttt -52.43 -37.57 57.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.802 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -58.77 -40.06 82.84 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.072 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.45 -40.45 85.4 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.336 -0.545 . . . . 0.0 111.853 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.59 -38.11 80.38 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.587 ' OD2' ' N ' ' B' ' 65' ' ' GLY . 23.6 t70 -84.68 100.67 11.62 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.987 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.33 -34.81 76.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.298 0.571 . . . . 0.0 110.469 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -57.36 -38.02 73.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.748 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.587 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 79.27 4.96 89.21 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 107.841 -2.104 . . . . 0.0 107.841 -177.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.671 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.1 p30 -63.23 -34.47 77.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.095 -1.052 . . . . 0.0 112.838 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.671 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 93.39 -0.15 68.05 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -178.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -111.99 153.32 26.97 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.307 -0.446 . . . . 0.0 109.82 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 42.1 t -107.98 133.6 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.376 0.608 . . . . 0.0 111.628 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 55.4 t0 -101.49 155.79 17.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.177 178.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.475 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 76.4 t80 -52.13 -42.7 63.54 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.385 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -59.2 -40.51 85.97 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.101 -0.639 . . . . 0.0 110.406 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.54 -38.4 90.89 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.791 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -63.1 -41.1 99.3 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.322 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.26 -45.68 95.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.692 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.81 -33.96 54.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.865 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.9 tp -58.11 -48.89 78.82 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.963 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.96 -33.4 29.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.087 0.47 . . . . 0.0 112.257 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.21 92.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.332 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.94 95.92 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.923 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.5 mt -63.66 -37.51 87.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.287 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.9 m -53.55 -38.47 63.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.254 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.34 -34.58 61.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.72 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.41 -38.15 86.06 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.857 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 5.9 ttp -57.03 -39.7 75.3 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 119.498 -0.881 . . . . 0.0 108.721 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -58.97 -41.48 87.64 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.539 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.91 -43.44 98.56 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.478 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -64.61 -35.04 79.73 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.88 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -53.44 -39.38 64.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.24 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.19 -34.92 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.196 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.92 -33.5 68.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.606 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -104.41 137.19 42.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.605 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.445 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 33.3 t . . . . . 0 C--O 1.236 0.347 0 CA-C-O 121.016 0.436 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.64 -36.75 79.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.555 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.96 -42.47 98.35 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.004 -0.679 . . . . 0.0 109.857 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -67.06 -39.22 86.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.643 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -61.8 -43.03 99.66 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.931 -0.708 . . . . 0.0 110.401 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.04 -38.98 83.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.48 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.2 ttm -61.02 -45.02 96.49 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.08 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.42 -31.55 67.83 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.212 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.8 m -56.52 -36.91 69.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.201 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.17 -42.31 99.15 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 118.998 -1.081 . . . . 0.0 110.659 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.446 HG23 HD13 ' A' ' 12' ' ' ILE . 74.0 mt -66.36 -43.34 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.02 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -60.18 -43.38 95.89 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.96 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.6 m -74.46 -40.78 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.283 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -63.38 -49.2 74.76 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.829 -0.749 . . . . 0.0 110.182 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -64.0 -46.88 82.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.34 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.36 -51.8 53.48 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.836 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.518 ' CG ' ' CD1' ' A' ' 36' ' ' LEU . 76.8 m80 -62.07 -46.62 88.33 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.069 -0.653 . . . . 0.0 111.416 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p -64.0 -35.26 80.11 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.355 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.25 -38.07 93.45 Favored Glycine 0 CA--C 1.522 0.487 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.175 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -58.92 -41.77 88.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.514 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -127.65 147.85 50.37 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.667 -179.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.61 -163.87 53.13 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 177.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -71.93 136.88 47.02 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.59 -39.2 90.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.122 0.487 . . . . 0.0 110.881 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -67.24 -33.8 76.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -119.05 150.63 39.66 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.3 tp -102.73 133.67 47.38 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 114.004 -1.453 . . . . 0.0 108.718 177.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.7 m -102.33 154.81 18.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -55.28 -42.15 73.22 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.921 -178.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -60.09 -42.04 93.77 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.127 -1.029 . . . . 0.0 109.558 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.1 mt-10 -66.56 -39.7 88.64 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.912 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 tt -65.06 -43.03 93.61 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.868 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -60.74 -46.53 90.08 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.095 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.27 -38.8 88.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.11 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.518 ' CD1' ' CG ' ' A' ' 18' ' ' HIS . 48.6 tp -63.03 -45.4 92.5 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.099 -0.641 . . . . 0.0 111.846 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -70.07 -40.68 74.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.461 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -63.25 -45.12 93.03 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 119.734 -0.786 . . . . 0.0 111.306 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.1 m -70.9 -43.66 67.86 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.451 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.0 mm-40 -74.71 -32.03 62.03 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -177.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.442 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 14.1 tp -97.52 140.35 32.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.373 0.606 . . . . 0.0 111.787 -177.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.608 ' O ' ' N ' ' A' ' 44' ' ' PHE . 27.3 m -50.35 -27.31 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -44.47 -9.24 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.584 -1.007 . . . . 0.0 110.584 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.608 ' N ' ' O ' ' A' ' 42' ' ' SER . 58.9 t80 -49.35 -40.69 36.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.447 ' C ' ' H ' ' A' ' 47' ' ' ALA . 26.3 tp -58.31 -35.67 72.21 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 43' ' ' GLY . 89.2 m-20 -79.94 19.51 0.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.682 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -54.98 -21.88 13.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.368 -178.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.503 ' O ' ' O ' ' A' ' 47' ' ' ALA . 92.1 mm-40 -52.71 -154.6 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.3 0.571 . . . . 0.0 112.04 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 2.7 ptpp? -56.09 -24.44 40.26 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.58 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -52.6 -33.26 45.43 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.5 t -53.74 -35.47 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.256 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.9 p30 -56.91 -31.96 65.44 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.311 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.654 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -56.08 -27.07 52.11 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.329 0.585 . . . . 0.0 109.533 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.0 t -54.1 -41.31 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.011 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -64.83 -43.7 92.21 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.807 -0.757 . . . . 0.0 111.878 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -63.54 -38.64 91.92 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 m -69.92 -32.27 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 120.007 -0.677 . . . . 0.0 112.728 -178.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.6 mmm -57.84 -40.06 79.17 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.427 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.22 -41.06 98.05 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.568 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.91 -46.23 72.17 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.26 -39.44 74.96 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 120.004 -0.679 . . . . 0.0 112.734 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.511 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 62.9 t0 -89.37 109.2 20.13 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.658 -178.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.33 -34.36 78.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.29 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -55.58 -36.95 67.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.881 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.91 9.35 66.04 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 108.22 -1.952 . . . . 0.0 108.22 -177.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.675 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.5 p30 -62.72 -33.8 75.86 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 114.277 -0.962 . . . . 0.0 112.921 -178.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.675 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.24 -7.23 66.55 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.289 -1.525 . . . . 0.0 109.289 -178.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 58.5 mp0 -114.46 153.46 29.9 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.1 m -126.05 152.54 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 122.017 0.913 . . . . 0.0 112.813 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.3 t0 -102.95 159.76 15.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 113.77 -1.559 . . . . 0.0 108.526 178.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.493 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 74.5 t80 -51.16 -40.74 59.29 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.656 -179.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -58.08 -41.89 84.42 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.579 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -68.41 -38.11 80.95 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.144 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -63.35 -44.92 93.47 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.5 p -59.93 -39.84 81.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.634 -178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.2 m -74.37 -32.74 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.381 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 tp -56.66 -45.61 81.57 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.314 -0.555 . . . . 0.0 110.135 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.18 -34.63 45.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.307 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.12 -37.6 85.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.934 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.68 95.96 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.126 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.0 mt -64.25 -36.97 85.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.132 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 47.9 m -54.16 -36.77 63.7 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.68 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 70.5 t -58.64 -34.58 51.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.037 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.55 -37.48 75.79 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.29 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.2 mmm -60.61 -37.9 82.91 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.217 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -60.09 -45.86 91.52 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.694 -0.802 . . . . 0.0 111.036 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -65.9 -44.22 85.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.133 0.492 . . . . 0.0 111.476 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -62.54 -42.56 99.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.305 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -53.49 -39.01 64.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.915 -178.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -54.55 -34.87 62.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.539 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.5 -32.91 72.95 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.488 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -104.51 137.04 42.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.489 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.483 -179.929 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.451 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 33.4 t -107.55 142.38 37.55 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 110.646 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.76 -36.62 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.14 -42.33 98.35 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.0 -0.68 . . . . 0.0 109.85 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -67.2 -39.14 86.31 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.554 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.1 m -61.81 -43.18 99.36 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.304 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.95 83.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.432 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 48.1 ttm -60.97 -44.97 96.58 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-O 120.96 0.409 . . . . 0.0 112.023 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.47 -31.61 67.98 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.261 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.8 m -56.54 -36.89 69.78 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.182 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.19 -42.26 99.12 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 118.911 -1.116 . . . . 0.0 110.706 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.1 mt -66.34 -43.36 91.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.973 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -60.18 -43.54 95.77 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.937 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.408 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 20.2 m -74.31 -40.82 50.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 120.039 -0.665 . . . . 0.0 111.315 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -63.29 -49.27 74.67 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.229 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -63.96 -46.91 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.337 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.32 -51.86 53.0 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.837 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.518 ' CG ' ' CD1' ' B' ' 36' ' ' LEU . 76.9 m80 -62.02 -46.62 88.36 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.495 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -63.99 -35.26 80.11 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.407 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.83 93.16 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.199 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -59.07 -41.77 88.76 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.509 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.7 mm-40 -127.68 147.87 50.39 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.681 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.5 -163.94 52.92 Favored Glycine 0 C--N 1.33 0.223 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -71.82 136.95 47.24 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -61.66 -39.22 90.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 0.0 110.786 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -67.2 -33.88 76.32 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -178.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -119.01 150.67 39.56 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.4 tp -102.76 133.62 47.51 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 114.02 -1.445 . . . . 0.0 108.659 177.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.6 m -102.29 154.72 18.78 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -55.17 -42.16 72.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -60.03 -42.06 93.57 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.163 -1.015 . . . . 0.0 109.617 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.509 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.1 mt-10 -66.56 -39.79 88.69 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.916 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 tt -65.05 -43.0 93.73 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.892 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -60.8 -46.46 90.44 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 119.456 -0.897 . . . . 0.0 111.123 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.17 -38.81 88.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.17 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.518 ' CD1' ' CG ' ' B' ' 18' ' ' HIS . 49.0 tp -63.2 -45.25 92.6 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.765 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -70.04 -40.76 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.422 179.313 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -63.34 -45.14 92.6 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.759 -0.777 . . . . 0.0 111.178 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 52.6 m -70.9 -43.65 67.87 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.445 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 76.9 mm-40 -74.67 -32.1 62.12 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.457 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 14.2 tp -97.5 140.38 32.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.371 0.605 . . . . 0.0 111.733 -177.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.613 ' C ' ' H ' ' B' ' 44' ' ' PHE . 27.7 m -50.29 -27.23 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' B' ' 46' ' ' ASP . . . -44.64 -9.09 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 178.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.613 ' H ' ' C ' ' B' ' 42' ' ' SER . 58.9 t80 -49.45 -40.61 37.56 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.459 ' C ' ' H ' ' B' ' 47' ' ' ALA . 26.2 tp -58.31 -35.74 72.31 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' B' ' 43' ' ' GLY . 89.1 m-20 -79.91 19.54 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.663 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.495 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -54.93 -22.0 13.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.341 -179.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.495 ' O ' ' O ' ' B' ' 47' ' ' ALA . 92.1 mm-40 -52.65 -154.59 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.356 0.598 . . . . 0.0 112.053 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 2.7 ptpp? -55.98 -24.58 39.55 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.588 -178.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -52.55 -33.21 44.62 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.2 t -53.73 -35.44 26.85 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.289 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.66 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 52.1 p30 -56.94 -31.95 65.49 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.397 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.66 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -56.18 -26.87 52.4 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.282 0.563 . . . . 0.0 109.511 179.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 73.0 t -54.12 -41.31 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.01 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -64.8 -43.77 92.11 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 119.8 -0.76 . . . . 0.0 111.891 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -63.53 -38.62 91.81 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 29.4 m -69.99 -32.16 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 119.978 -0.689 . . . . 0.0 112.78 -178.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 95.4 mmm -57.94 -39.97 79.35 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.445 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.27 -41.0 98.08 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.59 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.9 -46.22 72.21 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.25 -39.59 74.93 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.079 -0.648 . . . . 0.0 112.717 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.524 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 62.9 t0 -89.32 109.31 20.22 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 119.467 -0.893 . . . . 0.0 111.743 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.42 -34.39 78.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.309 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -55.43 -37.02 67.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.96 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.08 9.15 66.31 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 108.188 -1.965 . . . . 0.0 108.188 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.681 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.5 p30 -62.65 -33.78 75.73 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 114.309 -0.945 . . . . 0.0 112.981 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.681 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.3 -7.12 66.35 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 58.6 mp0 -114.63 153.44 30.16 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 26.2 m -126.09 152.51 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.979 0.895 . . . . 0.0 112.826 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.6 t0 -103.0 159.76 15.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.786 -1.552 . . . . 0.0 108.429 178.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.492 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 74.8 t80 -51.11 -40.75 59.17 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.45 -0.9 . . . . 0.0 109.603 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -58.09 -41.92 84.5 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.597 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -68.34 -38.04 81.1 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.576 0.703 . . . . 0.0 110.198 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -63.47 -44.91 93.07 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.4 p -59.95 -39.79 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.634 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 35.2 m -74.37 -32.94 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.355 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 tp -56.54 -45.59 81.09 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.135 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.25 -34.59 44.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.249 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.53 85.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.907 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.68 95.7 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.039 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.2 -36.96 85.78 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.106 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 49.4 m -54.21 -36.8 63.85 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.628 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.7 t -58.56 -34.68 51.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.013 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.57 -37.37 75.6 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.351 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 89.4 mmm -60.63 -37.87 82.91 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.214 -0.595 . . . . 0.0 111.251 178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -60.09 -45.87 91.47 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.078 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -65.87 -44.3 85.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.119 0.485 . . . . 0.0 111.413 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -62.53 -42.54 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.208 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -53.52 -39.06 64.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.967 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -54.48 -34.9 62.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.54 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.44 -32.89 72.87 Favored 'General case' 0 N--CA 1.461 0.087 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.558 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -104.57 137.02 43.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.44 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.531 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.95 0.405 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -58.2 -37.3 74.53 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.204 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.9 tp -59.37 -42.27 91.23 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.78 -40.11 94.72 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.19 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.8 m -60.26 -42.82 96.15 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.421 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.67 85.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.7 ttm -60.6 -43.86 96.94 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.299 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -57.93 -30.55 66.03 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.26 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.5 m -55.01 -38.34 67.77 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.997 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.9 mt -64.51 -41.18 96.57 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.576 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.38 -45.85 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.207 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.08 -42.95 95.71 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.781 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.0 m -71.02 -36.5 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.004 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.486 ' O ' ' OG ' ' A' ' 19' ' ' SER . 68.9 t80 -59.82 -48.12 82.98 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.934 179.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -63.45 -47.46 81.79 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.9 -48.8 75.18 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.198 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.548 ' CG ' ' CD1' ' A' ' 36' ' ' LEU . 75.3 m80 -63.35 -45.94 88.89 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.466 179.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 24.7 m -58.95 -40.88 86.01 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.714 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.62 -37.71 93.86 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.931 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.07 -42.26 89.94 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.4 mt-10 -123.83 149.18 46.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.12 -116.79 9.61 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 109.061 -1.616 . . . . 0.0 109.061 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 27' ' ' LYS . 51.7 p30 -143.6 159.07 43.11 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 178.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -61.91 -37.94 86.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.424 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -64.34 -35.78 81.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.54 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.472 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 41.4 mtmt -127.39 144.5 51.04 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.552 0.691 . . . . 0.0 112.344 -178.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 tp -108.27 125.77 52.05 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.489 ' HG ' ' H ' ' A' ' 32' ' ' GLU . 59.4 p -83.66 156.07 22.85 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.667 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 16.1 tptm -60.18 -44.69 94.87 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.44 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.84 -41.4 91.28 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.675 -0.81 . . . . 0.0 108.949 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.542 ' OE2' ' O ' ' A' ' 18' ' ' HIS . 84.5 tt0 -63.26 -38.34 90.79 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.864 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.53 -43.67 98.24 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.48 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.506 ' O ' ' OE1' ' A' ' 38' ' ' GLN . 32.3 ttpt -60.24 -46.61 89.18 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.755 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.51 -38.54 91.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.605 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.548 ' CD1' ' CG ' ' A' ' 18' ' ' HIS . 50.3 tp -61.67 -45.58 93.39 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.697 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -69.15 -43.48 74.23 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.816 179.083 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.531 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -65.44 -42.77 92.04 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.975 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -69.86 -44.55 69.61 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 77.2 mm-40 -75.99 -31.25 58.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.47 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 14.3 tp -97.78 137.84 36.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.456 0.646 . . . . 0.0 111.92 -176.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.61 ' O ' ' N ' ' A' ' 44' ' ' PHE . 25.7 m -51.73 -28.36 14.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.126 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.47 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -44.66 -9.85 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.61 ' N ' ' O ' ' A' ' 42' ' ' SER . 66.0 t80 -49.53 -39.41 34.27 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.7 tp -56.77 -35.43 68.65 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.712 ' C ' ' H ' ' A' ' 48' ' ' GLN . 88.6 m-20 -79.88 12.61 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.309 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -55.5 19.32 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.317 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.712 ' H ' ' C ' ' A' ' 46' ' ' ASP . 25.3 mt-30 -65.21 161.77 18.6 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -53.74 -26.28 22.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.792 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.99 -35.07 63.95 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.443 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 5.5 p -53.75 -19.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.763 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.0 p30 -56.54 -30.6 63.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.693 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.654 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -57.09 -27.78 62.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 57' ' ' VAL . 6.8 p -53.51 -34.94 24.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.905 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.543 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 56.2 t0 -65.02 -43.8 91.25 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.806 -0.758 . . . . 0.0 112.344 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -69.63 -44.08 71.36 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.465 0.65 . . . . 0.0 112.499 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 54' ' ' VAL . 3.9 p -62.5 -32.5 55.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.476 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.573 ' SD ' ' O ' ' A' ' 58' ' ' MET . 3.3 tmm? -55.4 -36.54 66.55 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.099 0.476 . . . . 0.0 110.526 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -58.19 -37.46 74.8 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.073 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.17 -38.85 92.52 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.449 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.17 -38.03 84.76 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.812 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.513 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 63.6 t0 -85.88 108.8 18.32 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.947 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.61 -33.22 75.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.973 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -56.07 -38.64 70.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.046 -177.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.1 5.93 81.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 108.366 -1.894 . . . . 0.0 108.366 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.655 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.4 p30 -63.29 -32.97 74.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.398 -0.901 . . . . 0.0 112.53 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.655 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.55 -3.61 63.45 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.418 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 95.9 mt-10 -112.03 151.91 28.78 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -111.06 133.79 55.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.563 0.697 . . . . 0.0 111.589 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -99.41 157.85 16.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.051 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -52.59 -42.14 64.26 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.095 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.63 -41.23 85.46 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.226 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.485 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 96.5 mt-10 -68.11 -39.0 82.89 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.387 0.613 . . . . 0.0 110.494 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.06 -45.15 90.05 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.0 p -59.94 -38.95 78.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.594 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 32.6 m -75.96 -32.8 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.783 178.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.72 -41.65 95.7 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.2 m -72.48 -32.0 40.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 121.25 0.547 . . . . 0.0 110.993 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.23 -36.26 79.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.131 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.1 93.26 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.54 -36.46 83.86 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.144 0.497 . . . . 0.0 109.936 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.4 m -53.73 -36.99 62.89 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.737 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.0 t -58.98 -34.77 53.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.094 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.26 -36.88 76.3 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.242 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 88.9 mmm -60.04 -37.58 80.21 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.011 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -60.0 -46.16 90.39 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.574 -0.851 . . . . 0.0 111.161 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -65.5 -44.36 87.25 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.025 0.441 . . . . 0.0 111.472 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -62.58 -41.83 99.18 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.405 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -53.63 -39.31 64.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.094 -177.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.27 -34.78 61.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.065 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.67 -33.24 68.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -103.64 136.98 42.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.557 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.561 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.727 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -62.83 154.37 30.15 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.596 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -58.17 -37.33 74.5 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.19 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 14.8 tp -59.27 -42.35 91.0 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.78 -40.05 94.62 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.217 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.0 m -60.23 -42.82 96.03 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.522 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.57 85.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.998 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 47.8 ttm -60.69 -43.88 97.23 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.348 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -57.85 -30.52 65.86 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.322 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 41.0 m -55.15 -38.22 67.98 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.057 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.2 mt -64.47 -41.23 96.62 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.06 -1.056 . . . . 0.0 110.587 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.8 mt -64.31 -45.89 94.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.221 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.06 -42.95 95.61 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.799 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.411 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 24.8 m -71.08 -36.42 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.12 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.495 ' O ' ' OG ' ' B' ' 19' ' ' SER . 68.8 t80 -59.79 -48.16 82.82 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 119.338 -0.945 . . . . 0.0 109.896 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -63.42 -47.46 81.82 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -48.76 75.28 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.154 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.546 ' CG ' ' CD1' ' B' ' 36' ' ' LEU . 75.4 m80 -63.36 -46.01 88.54 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.494 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.495 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 24.5 m -58.9 -40.78 85.51 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.789 -179.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.63 -37.8 93.95 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.9 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.1 -42.21 89.95 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' B' ' 19' ' ' SER . 95.4 mt-10 -123.89 149.07 46.27 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.24 -116.8 9.66 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' B' ' 27' ' ' LYS . 51.7 p30 -143.58 159.13 43.0 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -61.91 -37.95 86.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.456 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -64.33 -35.86 82.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.527 -178.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.464 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 41.3 mtmt -127.31 144.37 51.06 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.542 0.687 . . . . 0.0 112.414 -178.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 tp -108.06 125.78 51.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 177.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.511 ' HG ' ' H ' ' B' ' 32' ' ' GLU . 59.4 p -83.68 155.97 22.87 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.69 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 16.0 tptm -60.11 -44.64 94.71 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.548 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.91 -41.32 91.44 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 119.654 -0.818 . . . . 0.0 108.98 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.538 ' OE2' ' O ' ' B' ' 18' ' ' HIS . 84.6 tt0 -63.34 -38.28 90.52 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.832 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 18.4 tp -62.53 -43.55 98.53 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.493 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.51 ' O ' ' OE1' ' B' ' 38' ' ' GLN . 32.3 ttpt -60.4 -46.62 89.33 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.681 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.38 -38.65 91.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.658 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.546 ' CD1' ' CG ' ' B' ' 18' ' ' HIS . 50.3 tp -61.6 -45.6 93.4 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.682 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -69.22 -43.51 73.95 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.803 179.175 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.536 ' CD ' ' N ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -65.36 -42.79 92.41 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 119.842 -0.743 . . . . 0.0 112.069 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.4 m -69.89 -44.53 69.55 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.512 ' OE2' ' CE1' ' B' ' 18' ' ' HIS . 77.3 mm-40 -75.97 -31.29 58.95 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.477 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 14.2 tp -97.71 137.84 35.99 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.495 0.664 . . . . 0.0 111.999 -176.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.606 ' C ' ' H ' ' B' ' 44' ' ' PHE . 27.5 m -51.84 -28.28 15.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.098 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.477 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -44.61 -9.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.606 ' H ' ' C ' ' B' ' 42' ' ' SER . 65.9 t80 -49.45 -39.44 33.2 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.8 -35.4 68.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.712 ' C ' ' H ' ' B' ' 48' ' ' GLN . 88.8 m-20 -79.88 12.58 2.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.299 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' B' ' 44' ' ' PHE . . . -55.39 19.14 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.319 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.712 ' H ' ' C ' ' B' ' 46' ' ' ASP . 25.3 mt-30 -64.99 161.75 18.02 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -53.77 -26.31 23.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.764 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.05 -34.91 63.94 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.441 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 5.5 p -53.76 -19.44 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.669 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.641 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.0 p30 -56.44 -30.69 63.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.684 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.641 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.01 -27.82 61.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.448 ' O ' HG13 ' B' ' 57' ' ' VAL . 6.7 p -53.46 -34.93 24.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.945 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.543 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 56.4 t0 -65.1 -43.8 90.88 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.744 -0.783 . . . . 0.0 112.34 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -69.57 -44.13 71.46 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.459 0.647 . . . . 0.0 112.528 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.448 HG13 ' O ' ' B' ' 54' ' ' VAL . 3.9 p -62.45 -32.45 55.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.487 -177.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.568 ' SD ' ' O ' ' B' ' 58' ' ' MET . 3.3 tmm? -55.48 -36.5 66.68 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.104 0.478 . . . . 0.0 110.517 -179.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -58.29 -37.34 74.84 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.054 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.32 -38.78 92.25 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.365 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.27 -37.9 84.22 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.848 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.515 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 63.7 t0 -85.98 108.8 18.38 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.884 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.64 -33.25 75.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.003 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -55.99 -38.59 70.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.12 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.08 5.81 81.4 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.5 p30 -63.17 -33.03 74.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.307 -0.946 . . . . 0.0 112.581 -179.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.61 -3.57 63.29 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -178.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 95.9 mt-10 -112.09 151.87 28.91 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.2 t -111.04 133.79 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.494 0.664 . . . . 0.0 111.638 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -99.42 157.83 16.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.021 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -52.56 -42.13 64.16 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.125 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.73 -41.12 85.67 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.281 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.493 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 96.5 mt-10 -68.14 -38.99 82.77 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.396 0.617 . . . . 0.0 110.529 179.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -64.05 -45.14 90.12 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.9 p -59.96 -38.92 78.58 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 119.774 -0.77 . . . . 0.0 110.616 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 32.6 m -76.03 -32.83 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.696 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.72 -41.6 95.61 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.232 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 25.1 m -72.5 -31.92 39.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.28 0.562 . . . . 0.0 111.01 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.21 79.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.125 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.12 93.23 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.039 -0.665 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.46 -36.45 83.94 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.161 0.505 . . . . 0.0 110.037 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.3 m -53.81 -36.85 62.92 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.778 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.95 -34.91 54.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.085 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.93 76.1 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.317 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 88.7 mmm -60.14 -37.58 80.52 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.946 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -59.87 -46.3 89.76 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.15 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -65.39 -44.5 87.31 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.046 0.45 . . . . 0.0 111.473 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -62.54 -41.83 99.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.426 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -53.59 -39.25 64.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.119 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.32 -34.73 61.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.103 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.61 -33.35 68.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -103.6 136.9 42.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.601 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.529 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.236 0.394 0 CA-C-O 121.089 0.471 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.09 -36.31 77.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.411 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.64 -42.45 96.96 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.753 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -66.88 -39.32 87.47 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.668 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.0 m -61.53 -43.13 99.42 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.405 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.5 -38.37 80.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.716 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.7 ttm -59.9 -43.33 94.89 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 120.998 0.428 . . . . 0.0 112.124 -178.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.96 -31.15 66.59 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.262 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.6 m -56.15 -37.43 69.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.356 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.4 mt -63.0 -41.16 99.51 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.053 -1.059 . . . . 0.0 110.559 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.442 HD11 HG21 ' A' ' 12' ' ' ILE . 77.0 mt -64.99 -45.09 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.031 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -60.55 -41.13 93.9 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.896 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.416 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 27.4 m -73.73 -38.68 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.469 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 19' ' ' SER . 71.1 t80 -62.8 -49.76 73.66 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.491 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -64.18 -47.94 77.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.434 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.05 -52.45 42.04 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.056 -0.658 . . . . 0.0 112.061 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.467 ' CE1' ' OE2' ' A' ' 40' ' ' GLU . 77.5 m80 -62.82 -48.33 79.57 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.519 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 15' ' ' PHE . 20.1 t -61.71 -40.15 94.02 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.959 0.409 . . . . 0.0 110.715 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.587 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . . . -63.04 -37.36 94.82 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.849 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -58.76 -41.31 86.28 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.522 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -126.72 150.3 49.12 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.934 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.04 -163.65 53.9 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.69 137.63 49.93 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.587 ' NZ ' ' O ' ' A' ' 20' ' ' GLY . 65.4 mmtt -61.16 -40.72 94.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.211 0.529 . . . . 0.0 110.078 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -69.42 -33.59 73.2 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -116.06 149.59 38.67 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -176.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -104.32 131.27 51.84 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.0 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -98.79 150.91 21.36 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.669 ' HZ1' ' CB ' ' A' ' 55' ' ' ASP . 59.1 tttt -55.57 -39.16 70.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 118.521 -1.272 . . . . 0.0 110.945 -177.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -56.58 -40.9 76.02 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 118.452 -1.299 . . . . 0.0 108.516 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.522 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.2 mt-10 -66.46 -36.67 83.33 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.337 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.6 tp -66.85 -50.73 61.63 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -60.46 -43.82 96.52 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.576 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.65 -37.74 85.44 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.471 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.6 tt -64.89 -43.93 91.28 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.061 -0.656 . . . . 0.0 110.448 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -68.14 -40.72 82.37 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.155 179.361 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.436 ' NE2' ' CB ' ' A' ' 47' ' ' ALA . 62.7 tt0 -63.32 -45.68 90.2 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.426 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.2 m -70.87 -43.35 68.61 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.467 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 77.2 mm-40 -74.62 -32.33 62.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.452 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 13.6 tp -97.98 140.31 32.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.11 0.481 . . . . 0.0 111.171 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.605 ' C ' ' H ' ' A' ' 44' ' ' PHE . 87.6 p -54.29 -24.49 19.23 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.591 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -46.42 -9.7 0.03 OUTLIER Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.605 ' H ' ' C ' ' A' ' 42' ' ' SER . 46.4 t80 -47.66 -42.19 24.04 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.97 -35.21 79.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.205 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.693 ' C ' ' H ' ' A' ' 48' ' ' GLN . 28.4 p30 -90.12 13.17 15.73 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.287 -178.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.436 ' CB ' ' NE2' ' A' ' 38' ' ' GLN . . . -56.47 20.26 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.693 ' H ' ' C ' ' A' ' 46' ' ' ASP . 93.2 mt-30 -60.55 162.09 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -48.85 -18.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -55.37 -34.79 64.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.033 0.444 . . . . 0.0 110.164 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.419 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 17.9 m -58.39 -10.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.335 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.7 p30 -58.63 -30.34 67.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.887 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.654 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -57.66 -27.19 62.63 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.673 0.749 . . . . 0.0 109.292 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 6.1 p -51.86 -36.79 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.669 ' CB ' ' HZ1' ' A' ' 30' ' ' LYS . 54.7 t0 -60.72 -42.06 96.52 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.59 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.43 -38.04 89.62 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.499 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 m -68.61 -29.49 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.946 -178.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.0 mmm -55.51 -39.39 70.45 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.818 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -62.02 -43.28 99.18 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.007 -0.677 . . . . 0.0 111.099 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.33 -42.35 88.31 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 62' ' ' ASP . 0.6 OUTLIER -78.11 -36.95 47.36 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.307 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.49 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 63.6 t0 -87.67 110.47 20.44 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.308 -179.235 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.04 -33.49 75.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.366 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -56.77 -38.9 73.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.857 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.21 4.86 64.74 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 108.209 -1.957 . . . . 0.0 108.209 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.658 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.9 p30 -63.31 -33.97 76.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.379 -0.91 . . . . 0.0 112.899 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.658 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.65 0.36 64.61 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 109.724 -1.351 . . . . 0.0 109.724 -178.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -109.32 152.46 25.25 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.1 t -108.66 132.6 56.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.57 0.7 . . . . 0.0 111.576 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -101.97 159.32 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -52.12 -42.32 63.2 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.997 -1.081 . . . . 0.0 109.721 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -59.73 -41.38 90.78 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.689 178.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.484 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 96.6 mt-10 -68.37 -39.53 81.73 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.523 0.678 . . . . 0.0 111.107 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -63.75 -45.19 90.96 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.096 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 76' ' ' VAL . 2.5 p -60.34 -38.85 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.691 -178.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.401 ' N ' HG12 ' A' ' 75' ' ' VAL . 32.6 m -75.57 -33.4 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 120.142 -0.623 . . . . 0.0 109.692 178.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.7 tt -59.65 -42.44 92.8 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.6 m -72.27 -31.07 37.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 C-N-CA 120.276 -0.569 . . . . 0.0 111.265 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.25 80.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.644 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.71 90.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.594 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.52 -35.33 80.54 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.043 0.449 . . . . 0.0 110.171 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.4 m -52.91 -36.78 60.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.559 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.2 t -58.47 -35.95 56.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.229 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.3 79.8 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.266 -0.573 . . . . 0.0 110.428 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.0 tpt -57.22 -39.5 75.59 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -59.79 -41.5 91.29 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.64 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -61.38 -44.05 97.82 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.795 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.6 -36.42 83.67 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.708 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -53.48 -39.22 64.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.947 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.54 -34.95 62.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.566 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.58 -32.71 72.82 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.579 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.22 137.12 42.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.593 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -107.39 143.12 36.15 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.119 0.485 . . . . 0.0 110.556 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.05 -36.4 77.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.427 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.52 -42.41 96.38 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.846 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -66.93 -39.41 87.34 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.597 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.4 m -61.46 -43.12 99.43 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.478 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.49 -38.47 81.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.657 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 46.6 ttm -59.85 -43.31 94.72 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.84 -31.24 66.46 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.324 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.8 m -56.05 -37.61 69.49 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.289 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.83 -41.33 99.28 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 119.046 -1.062 . . . . 0.0 110.522 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.91 -44.99 96.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.103 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -60.5 -41.25 93.95 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.881 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.434 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 27.1 m -73.76 -38.65 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.445 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' B' ' 19' ' ' SER . 71.1 t80 -62.83 -49.73 73.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.511 178.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -64.07 -47.94 78.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.461 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.08 -52.5 41.24 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 120.099 -0.64 . . . . 0.0 112.04 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.47 ' CE1' ' OE2' ' B' ' 40' ' ' GLU . 77.5 m80 -62.8 -48.29 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.571 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' B' ' 15' ' ' PHE . 20.0 t -61.73 -40.13 93.99 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.02 0.438 . . . . 0.0 110.745 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.586 ' O ' ' NZ ' ' B' ' 25' ' ' LYS . . . -63.15 -37.25 94.61 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.824 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -58.75 -41.32 86.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.524 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -126.72 150.36 49.1 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.916 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.98 -163.68 53.84 Favored Glycine 0 C--N 1.333 0.4 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.73 137.65 49.87 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.586 ' NZ ' ' O ' ' B' ' 20' ' ' GLY . 65.3 mmtt -61.23 -40.66 94.86 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.078 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -69.51 -33.49 72.91 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -116.04 149.58 38.67 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -104.32 131.28 51.83 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.975 177.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.5 t -98.81 150.93 21.36 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.659 ' HZ1' ' CB ' ' B' ' 55' ' ' ASP . 59.1 tttt -55.54 -39.23 70.31 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 118.529 -1.269 . . . . 0.0 110.923 -177.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -56.56 -40.99 76.11 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 118.419 -1.312 . . . . 0.0 108.55 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.524 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.2 mt-10 -66.29 -36.75 83.77 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.366 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 16.8 tp -66.83 -50.73 61.64 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -60.46 -43.85 96.47 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.598 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.56 -37.82 85.78 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.474 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.79 -43.94 91.57 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.524 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.459 HD22 ' N ' ' B' ' 37' ' ' LEU . 0.5 OUTLIER -68.18 -40.73 82.16 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.162 179.385 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.439 ' NE2' ' CB ' ' B' ' 47' ' ' ALA . 62.5 tt0 -63.23 -45.7 90.41 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.484 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 46.9 m -70.8 -43.37 68.8 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.47 ' OE2' ' CE1' ' B' ' 18' ' ' HIS . 77.3 mm-40 -74.61 -32.4 62.31 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.463 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 13.7 tp -97.88 140.4 32.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.095 0.474 . . . . 0.0 111.218 -177.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.593 ' C ' ' H ' ' B' ' 44' ' ' PHE . 87.8 p -54.38 -24.54 20.06 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.565 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -46.36 -9.7 0.03 OUTLIER Glycine 0 CA--C 1.522 0.516 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 178.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.593 ' H ' ' C ' ' B' ' 42' ' ' SER . 46.4 t80 -47.75 -42.14 24.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.91 -35.24 79.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.207 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.689 ' C ' ' H ' ' B' ' 48' ' ' GLN . 28.6 p30 -90.17 13.15 15.86 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.27 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.439 ' CB ' ' NE2' ' B' ' 38' ' ' GLN . . . -56.49 20.26 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.689 ' H ' ' C ' ' B' ' 46' ' ' ASP . 93.1 mt-30 -60.52 162.01 6.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.196 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -48.75 -18.82 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.22 -34.95 64.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.09 0.471 . . . . 0.0 110.229 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.425 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 18.0 m -58.31 -10.95 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.317 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.657 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.7 p30 -58.6 -30.3 67.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.839 179.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.657 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.7 -27.28 62.79 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-O 121.586 0.707 . . . . 0.0 109.239 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.425 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 6.1 p -51.74 -36.75 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.659 ' CB ' ' HZ1' ' B' ' 30' ' ' LYS . 54.8 t0 -60.72 -42.23 96.86 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.497 178.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.24 -38.12 89.92 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.508 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 m -68.71 -29.45 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.927 -177.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 93.1 mmm -55.49 -39.38 70.37 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.827 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -62.02 -43.37 98.98 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.971 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.35 -42.34 88.22 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' B' ' 62' ' ' ASP . 0.6 OUTLIER -78.07 -37.07 47.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.316 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.491 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 63.6 t0 -87.6 110.51 20.43 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.303 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.17 -33.38 75.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.348 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -56.78 -38.95 73.23 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.84 -178.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.26 4.84 64.94 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.9 p30 -63.45 -33.8 76.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.398 -0.901 . . . . 0.0 112.925 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.654 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.63 0.33 64.68 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -178.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -109.35 152.42 25.32 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.9 t -108.58 132.61 56.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.438 0.637 . . . . 0.0 111.555 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -101.97 159.26 15.52 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -52.13 -42.27 63.2 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 118.988 -1.085 . . . . 0.0 109.712 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -59.64 -41.45 90.5 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.748 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.48 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 96.7 mt-10 -68.59 -39.36 80.97 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.486 0.66 . . . . 0.0 111.016 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -63.81 -45.15 90.96 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.414 HG12 ' N ' ' B' ' 76' ' ' VAL . 2.4 p -60.35 -38.83 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.679 -178.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.414 ' N ' HG12 ' B' ' 75' ' ' VAL . 32.6 m -75.62 -33.37 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.642 178.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.7 tt -59.73 -42.4 93.05 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 22.7 m -72.25 -31.08 37.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.293 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.29 80.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.611 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.66 90.84 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.625 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.51 -35.33 80.56 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.075 0.464 . . . . 0.0 110.2 178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 86.6 m -52.93 -36.74 60.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.644 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.1 t -58.49 -35.98 57.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.151 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.33 79.95 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.437 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.16 -39.49 75.36 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -59.68 -41.62 91.09 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.694 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -61.32 -44.04 97.87 Favored 'General case' 0 N--CA 1.458 -0.051 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.785 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.68 -36.3 83.24 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.762 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -53.56 -39.17 64.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.984 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.47 -35.02 62.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.595 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.66 -32.57 72.74 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.577 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.3 137.05 42.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.593 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.557 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.503 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 54.6 p . . . . . 0 C--O 1.235 0.335 0 CA-C-O 120.954 0.407 . . . . 0.0 110.577 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.58 -36.23 78.01 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.941 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.65 -42.22 96.55 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.916 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.38 -39.17 88.92 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.95 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.4 m -62.6 -42.47 99.59 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.291 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.74 -37.71 85.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.301 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.3 ttm -59.44 -42.77 92.68 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.17 0.51 . . . . 0.0 111.532 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.89 -31.16 66.47 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.24 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.0 m -55.94 -37.27 68.74 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.314 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.57 -41.47 98.95 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.401 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.0 mt -65.32 -43.6 94.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.806 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -59.48 -42.95 93.26 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.786 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -73.79 -38.28 50.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.848 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -62.42 -49.11 76.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.363 0.602 . . . . 0.0 110.127 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.667 ' CD2' ' HZ2' ' A' ' 25' ' ' LYS . 21.4 t-80 -64.13 -49.09 73.56 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.496 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.69 -48.67 71.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.248 -0.581 . . . . 0.0 112.047 -178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -64.13 -46.73 82.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.931 -0.708 . . . . 0.0 111.074 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.482 ' O ' ' O ' ' A' ' 22' ' ' GLU . 22.8 t -60.79 -40.94 94.47 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.352 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.44 -40.43 98.82 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.117 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -60.02 -40.05 87.98 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.502 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.7 mt-10 -121.54 153.08 38.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.061 0.458 . . . . 0.0 111.912 -178.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.2 -164.5 1.46 Allowed Glycine 0 C--N 1.331 0.297 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 27' ' ' LYS . 88.7 m-20 -71.83 135.82 46.79 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.667 ' HZ2' ' CD2' ' A' ' 16' ' ' HIS . 42.3 tttm -60.28 -40.59 90.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.215 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -65.98 -32.58 74.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.266 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' A' ' 24' ' ' ASP . 98.6 mttt -116.02 146.15 42.4 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.638 0.732 . . . . 0.0 112.828 -178.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.9 tp -107.3 131.15 54.53 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.458 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.1 m -104.57 150.62 24.47 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HZ3' ' CG ' ' A' ' 34' ' ' LYS . 26.1 tttm -57.02 -36.54 70.57 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 118.72 -1.192 . . . . 0.0 109.895 -178.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -55.53 -40.67 72.13 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 118.947 -1.101 . . . . 0.0 108.23 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.502 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.7 mt-10 -65.92 -37.5 86.25 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.5 tp -62.69 -45.69 91.59 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.988 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' CG ' ' HZ3' ' A' ' 30' ' ' LYS . 85.7 mttt -60.23 -42.4 95.16 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.508 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.65 -42.35 95.5 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.86 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.6 tp -66.72 -44.19 82.28 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.065 -0.654 . . . . 0.0 112.045 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.49 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -68.59 -42.46 78.19 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.416 -179.613 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -64.45 -40.88 96.57 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.187 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.24 -43.24 74.42 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.493 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 76.9 mm-40 -75.52 -33.8 60.76 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.611 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -95.52 143.57 26.72 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.667 0.746 . . . . 0.0 112.821 -178.757 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.589 ' C ' ' H ' ' A' ' 44' ' ' PHE . 86.6 p -58.43 -24.42 60.14 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 177.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.568 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -45.6 -11.21 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.958 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.589 ' H ' ' C ' ' A' ' 42' ' ' SER . 56.7 t80 -46.4 -38.88 9.57 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.346 -0.941 . . . . 0.0 109.078 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 2.9 mm? -59.83 -31.93 70.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.516 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.568 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 27.3 p30 -82.27 15.77 2.29 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.064 0.459 . . . . 0.0 110.032 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -53.92 -21.61 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.54 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.515 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.6 mt-30 -51.69 -157.84 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.236 0.541 . . . . 0.0 111.686 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -55.5 -23.6 26.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.541 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -51.92 -34.45 41.64 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.409 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 42.6 t -51.82 -38.4 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.237 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -53.39 -34.52 58.0 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.914 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.96 -28.38 62.2 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.058 0.456 . . . . 0.0 110.16 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.409 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 4.8 p -54.0 -35.97 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -63.22 -42.1 99.22 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.718 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -63.67 -42.9 97.99 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.923 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.7 m -75.49 -30.48 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.331 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.3 ttt -55.95 -44.02 78.04 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-O 121.504 0.669 . . . . 0.0 110.136 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 62' ' ' ASP . 49.8 mtmt -61.85 -38.51 88.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.524 179.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.3 -42.46 99.38 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.884 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.89 -39.91 83.6 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.026 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.608 ' OD2' ' N ' ' A' ' 65' ' ' GLY . 21.3 t70 -94.52 121.36 36.0 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -178.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.77 -31.73 72.88 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.697 176.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.584 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -86.97 3.13 47.06 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.189 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.608 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 93.24 -3.56 72.86 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.545 ' OD1' ' OE1' ' A' ' 73' ' ' GLU . 1.8 t0 55.85 41.22 30.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 178.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.65 -37.32 60.92 Favored Glycine 0 C--N 1.312 -0.756 0 C-N-CA 117.333 -2.365 . . . . 0.0 107.928 177.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -121.89 144.74 48.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.7 t -110.58 133.27 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 120.04 -0.664 . . . . 0.0 111.651 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -103.19 157.36 17.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.274 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -53.71 -41.18 66.7 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.379 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -57.08 -40.54 77.13 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.041 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.545 ' OE1' ' OD1' ' A' ' 66' ' ' ASP . 97.4 mt-10 -67.45 -38.36 84.35 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.235 178.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -63.17 -45.23 92.79 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.5 p -60.41 -39.23 80.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.064 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.4 m -76.27 -33.65 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.087 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.59 -41.04 96.85 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.977 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.1 m -72.0 -31.96 42.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-O 121.379 0.609 . . . . 0.0 110.657 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.39 76.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.913 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.67 -44.3 94.18 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.385 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.63 -36.57 84.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.082 0.468 . . . . 0.0 110.055 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.5 m -53.32 -37.11 61.98 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.555 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.8 t -58.81 -35.46 56.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.294 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.51 77.84 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.498 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpt -58.64 -42.09 87.52 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -59.81 -40.6 88.96 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.129 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -59.69 -41.1 89.94 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.148 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.18 -46.12 90.35 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -57.39 -34.47 68.9 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.492 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.455 ' O ' ' OXT' ' A' ' 93' ' ' SER . 71.6 t-105 -54.73 -33.63 61.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.88 -33.45 66.89 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.541 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -55.5 -34.51 64.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.558 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.455 ' OXT' ' O ' ' A' ' 90' ' ' TRP . 28.9 p . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.576 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.493 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 54.6 p -69.79 162.23 28.26 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.946 0.403 . . . . 0.0 110.547 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.61 -36.2 78.01 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.97 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 38.6 tp -60.65 -42.21 96.54 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.914 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.35 -39.18 89.01 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 120.163 -0.615 . . . . 0.0 109.94 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.4 m -62.63 -42.5 99.63 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.301 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.71 -37.76 85.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.283 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 47.2 ttm -59.34 -42.76 92.23 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.178 0.513 . . . . 0.0 111.567 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.96 -31.19 66.62 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.189 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.4 m -55.84 -37.32 68.56 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.324 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.5 mt -62.6 -41.38 98.94 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.452 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.32 -43.58 94.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.862 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -59.56 -42.97 93.62 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.773 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -73.73 -38.3 50.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.833 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -62.37 -49.11 76.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.325 0.583 . . . . 0.0 110.123 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.663 ' CD2' ' HZ2' ' B' ' 25' ' ' LYS . 21.5 t-80 -64.07 -49.17 73.35 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.484 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -48.68 71.25 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.262 -0.575 . . . . 0.0 112.006 -178.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -64.17 -46.72 82.75 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.055 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.486 ' O ' ' O ' ' B' ' 22' ' ' GLU . 22.9 t -60.82 -40.9 94.48 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.381 -179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.44 -40.44 98.82 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 121.228 -0.511 . . . . 0.0 112.091 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -59.97 -40.16 88.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.512 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.7 mt-10 -121.4 153.09 38.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 111.977 -178.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.26 -164.58 1.48 Allowed Glycine 0 CA--C 1.519 0.336 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' B' ' 27' ' ' LYS . 88.5 m-20 -71.75 135.8 46.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.663 ' HZ2' ' CD2' ' B' ' 16' ' ' HIS . 42.3 tttm -60.17 -40.79 91.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -65.88 -32.55 74.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.263 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' B' ' 24' ' ' ASP . 98.6 mttt -115.99 146.14 42.38 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.62 0.724 . . . . 0.0 112.81 -178.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.0 tp -107.32 131.14 54.56 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 114.946 -1.025 . . . . 0.0 108.479 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m -104.55 150.68 24.42 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.409 ' HZ3' ' CG ' ' B' ' 34' ' ' LYS . 26.2 tttm -57.08 -36.49 70.64 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 118.697 -1.201 . . . . 0.0 109.9 -178.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -55.55 -40.71 72.26 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 118.904 -1.119 . . . . 0.0 108.16 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.512 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.7 mt-10 -65.85 -37.5 86.35 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 23.5 tp -62.57 -45.72 91.64 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.092 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.409 ' CG ' ' HZ3' ' B' ' 30' ' ' LYS . 85.8 mttt -60.29 -42.38 95.36 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.513 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.65 -42.36 95.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.888 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 38.5 tp -66.72 -44.24 82.13 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.016 -0.674 . . . . 0.0 112.063 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.6 OUTLIER -68.48 -42.59 78.45 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.39 -179.592 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -64.26 -40.92 96.98 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.096 -1.042 . . . . 0.0 111.298 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.6 m -69.23 -43.3 74.31 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.503 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 76.9 mm-40 -75.38 -33.88 61.05 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.612 ' N ' ' CD2' ' B' ' 41' ' ' LEU . 0.4 OUTLIER -95.37 143.66 26.55 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.673 0.749 . . . . 0.0 112.823 -178.807 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.59 ' C ' ' H ' ' B' ' 44' ' ' PHE . 86.8 p -58.56 -24.41 60.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.575 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -45.65 -11.12 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 114.25 -1.341 . . . . 0.0 109.912 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.59 ' H ' ' C ' ' B' ' 42' ' ' SER . 56.9 t80 -46.54 -38.86 10.0 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.95 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.497 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 2.8 mm? -59.79 -32.01 70.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.511 178.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.575 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 27.4 p30 -82.27 15.86 2.26 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.079 0.466 . . . . 0.0 110.006 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -53.98 -21.48 8.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.587 -178.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.515 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.7 mt-30 -51.77 -157.87 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.206 0.527 . . . . 0.0 111.702 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -55.43 -23.59 25.98 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.523 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -52.02 -34.39 42.79 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 42.9 t -51.83 -38.38 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.295 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.46 -34.47 58.02 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.946 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -28.33 62.1 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.175 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.416 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 4.8 p -54.05 -35.91 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -63.13 -42.13 99.44 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.782 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -63.68 -42.87 97.98 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.947 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.7 m -75.45 -30.45 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.409 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.3 ttt -55.92 -44.06 77.95 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.625 0.726 . . . . 0.0 110.151 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' B' ' 62' ' ' ASP . 49.7 mtmt -61.93 -38.56 88.89 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.438 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.17 -42.56 99.39 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.903 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.8 -39.93 83.97 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.988 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.602 ' OD2' ' N ' ' B' ' 65' ' ' GLY . 21.2 t70 -94.59 121.35 36.06 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.71 -31.79 72.98 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.688 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.582 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -86.94 3.02 47.41 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -177.103 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.602 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 93.32 -3.74 72.83 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.542 ' N ' ' ND2' ' B' ' 64' ' ' ASN . 1.8 t0 55.99 41.11 30.17 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.62 -37.35 60.85 Favored Glycine 0 C--N 1.311 -0.812 0 C-N-CA 117.355 -2.355 . . . . 0.0 107.878 177.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -121.86 144.8 48.63 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.7 t -110.62 133.37 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.612 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -103.24 157.46 17.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.211 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -53.81 -41.22 67.1 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.33 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -56.9 -40.7 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.117 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.527 ' OE1' ' OD1' ' B' ' 66' ' ' ASP . 97.4 mt-10 -67.39 -38.39 84.61 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.15 178.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -63.26 -45.11 93.03 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.402 HG11 ' N ' ' B' ' 76' ' ' VAL . 3.4 p -60.59 -39.14 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 119.88 -0.728 . . . . 0.0 111.04 -178.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.402 ' N ' HG11 ' B' ' 75' ' ' VAL . 28.5 m -76.23 -33.72 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.086 178.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.56 -41.03 96.79 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.01 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 22.1 m -72.03 -31.91 41.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.408 0.623 . . . . 0.0 110.701 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.26 76.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.984 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.27 93.92 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.327 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.7 -36.52 83.85 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.071 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.3 m -53.23 -37.16 61.81 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.67 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.0 t -58.8 -35.53 56.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.293 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.43 77.57 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.561 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpt -58.65 -42.14 87.67 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -59.79 -40.56 88.73 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.166 177.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -59.69 -41.05 89.86 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.179 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.23 -46.03 90.69 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -57.43 -34.52 69.03 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.53 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.456 ' O ' ' OXT' ' B' ' 93' ' ' SER . 71.6 t-105 -54.73 -33.74 61.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.74 -33.43 66.55 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -55.57 -34.5 64.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' SER . . . . . 0.456 ' OXT' ' O ' ' B' ' 90' ' ' TRP . 29.5 p . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.647 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.71 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.563 ' HG ' ' H ' ' A' ' 5' ' ' GLU . 60.7 p -69.68 163.07 26.44 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.116 0.484 . . . . 0.0 110.75 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.98 -35.69 75.56 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.27 -41.23 96.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.568 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.563 ' H ' ' HG ' ' A' ' 2' ' ' SER . 97.8 mt-10 -65.87 -39.26 90.55 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.038 178.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.6 m -61.59 -42.92 99.55 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.215 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.14 -36.42 81.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.475 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.1 ttm -59.84 -43.39 94.63 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.876 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.69 -32.4 67.31 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.314 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.8 m -57.36 -36.37 71.12 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.69 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 mt -61.85 -42.14 98.69 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.231 -0.988 . . . . 0.0 111.394 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.9 mt -65.96 -45.94 89.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.124 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -60.31 -43.25 96.52 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.627 -0.429 . . . . 0.0 112.114 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 m -72.57 -40.3 62.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.575 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -61.76 -47.06 86.88 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.945 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.35 -46.8 84.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.324 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.89 -52.74 47.51 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.114 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -62.71 -45.65 91.75 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.659 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 t -60.55 -40.51 91.83 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.041 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.45 -37.16 94.09 Favored Glycine 0 CA--C 1.524 0.628 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.554 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.81 -41.86 87.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.507 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -128.85 145.25 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.551 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.16 -164.32 54.91 Favored Glycine 0 C--N 1.331 0.288 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.86 137.57 47.61 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -61.59 -38.98 89.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 110.91 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -66.5 -34.69 78.49 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.53 147.72 48.21 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 tp -106.51 124.86 50.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.768 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.465 ' HG ' ' H ' ' A' ' 32' ' ' GLU . 53.8 p -83.82 159.72 21.34 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.174 -0.61 . . . . 0.0 109.615 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -58.37 -39.17 78.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 119.634 -0.827 . . . . 0.0 110.138 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -58.03 -42.42 85.27 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.835 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.507 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 97.9 mt-10 -66.51 -38.79 87.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.917 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.8 tp -64.78 -43.89 91.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.823 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -60.29 -46.0 91.37 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.004 0.43 . . . . 0.0 110.93 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.05 -39.91 93.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.726 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.4 tp -61.34 -51.86 67.05 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.356 -0.538 . . . . 0.0 112.285 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.9 -37.64 72.97 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.082 -0.647 . . . . 0.0 112.512 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.73 -46.24 90.5 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 118.923 -1.111 . . . . 0.0 111.122 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.2 m -75.76 -48.45 21.72 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -76.68 -33.19 58.26 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.691 ' CD2' ' H ' ' A' ' 43' ' ' GLY . 5.1 tt -96.98 143.31 27.96 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.332 0.587 . . . . 0.0 110.604 -177.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.598 ' C ' ' H ' ' A' ' 44' ' ' PHE . 25.6 t -49.2 -24.81 1.9 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.721 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.691 ' H ' ' CD2' ' A' ' 41' ' ' LEU . . . -44.41 -11.59 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.598 ' H ' ' C ' ' A' ' 42' ' ' SER . 65.8 t80 -49.29 -40.83 36.21 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.94 -35.76 71.57 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' GLY . 88.8 m-20 -80.42 9.4 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.359 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.517 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -58.09 -24.92 60.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.519 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.517 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.8 mt-30 -53.22 -157.4 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -57.04 -27.63 61.83 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.508 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.77 -34.6 62.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.125 0.488 . . . . 0.0 109.743 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.3 p -52.93 -29.73 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.933 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.31 -35.37 62.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.68 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.63 -27.83 59.23 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.078 0.466 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 p -52.61 -37.74 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.17 -41.45 97.12 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 119.624 -0.83 . . . . 0.0 110.159 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.95 -40.3 97.27 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.5 m -71.61 -31.67 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 119.779 -0.768 . . . . 0.0 112.023 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.4 mmm -58.35 -37.32 74.94 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.786 -0.365 . . . . 0.0 111.693 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.27 -44.42 95.35 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.873 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.63 -40.5 84.63 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.882 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.45 -36.62 81.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.765 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.529 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 42.7 t0 -85.93 105.42 16.39 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.529 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.16 -37.43 83.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.52 0.676 . . . . 0.0 109.376 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -58.84 -37.49 76.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.191 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.62 6.89 88.86 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 107.994 -2.042 . . . . 0.0 107.994 -177.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.2 p30 -63.13 -33.78 76.2 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 114.218 -0.991 . . . . 0.0 112.942 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.46 -3.98 66.39 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.496 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 95.7 mt-10 -111.23 154.09 24.92 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.8 m -124.37 149.69 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-O 122.18 0.99 . . . . 0.0 112.862 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -106.86 166.49 10.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 113.55 -1.659 . . . . 0.0 108.351 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -51.34 -41.49 60.63 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.784 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -59.63 -42.7 93.31 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.574 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -68.68 -38.15 80.12 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.465 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -62.21 -44.89 95.56 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.394 -0.821 . . . . 0.0 113.16 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 p -60.5 -39.26 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 119.846 -0.741 . . . . 0.0 111.126 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.73 -33.47 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.838 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.89 -42.45 98.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.7 m -73.52 -32.34 35.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.833 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.33 87.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.066 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.19 95.43 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.912 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.35 -36.04 82.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.432 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.7 m -52.84 -38.35 61.33 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.818 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 80.1 t -60.24 -35.51 62.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.25 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.89 -38.92 90.13 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.887 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 10.2 ttp -59.74 -38.91 83.05 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 119.627 -0.829 . . . . 0.0 108.825 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -58.33 -41.87 85.55 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.258 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -60.81 -41.63 96.07 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.487 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.65 -41.03 94.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.413 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -52.96 -39.06 62.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.015 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.32 -35.62 62.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.473 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.98 -33.07 73.64 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.547 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.569 ' O ' ' CB ' ' A' ' 93' ' ' SER . 26.9 t30 -102.0 128.38 48.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.431 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.711 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.592 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.555 ' HG ' ' H ' ' B' ' 5' ' ' GLU . 60.7 p -69.72 163.08 26.48 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.128 0.489 . . . . 0.0 110.705 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.91 -35.7 75.44 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.6 tt -61.36 -41.13 96.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.197 -0.601 . . . . 0.0 109.603 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.555 ' H ' ' HG ' ' B' ' 2' ' ' SER . 97.8 mt-10 -65.87 -39.27 90.54 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.071 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.4 m -61.6 -42.94 99.59 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.215 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.09 -36.43 81.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.509 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 46.1 ttm -59.8 -43.41 94.48 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.852 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.71 -32.41 67.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.325 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.8 m -57.32 -36.34 70.99 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.678 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.0 mt -61.97 -42.03 98.67 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 119.241 -0.983 . . . . 0.0 111.434 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.0 mt -66.01 -45.94 89.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.123 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -60.28 -43.27 96.37 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.553 -0.459 . . . . 0.0 112.057 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 m -72.62 -40.26 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.563 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -61.76 -47.15 86.49 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.973 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.29 -46.72 85.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.348 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.94 -52.65 47.85 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.166 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -62.76 -45.73 91.35 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.62 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.7 t -60.43 -40.63 91.78 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.379 -0.529 . . . . 0.0 110.022 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.38 -37.22 94.19 Favored Glycine 0 CA--C 1.523 0.588 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.561 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.81 -41.78 87.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.499 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -128.85 145.26 51.25 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.573 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.19 -164.42 54.91 Favored Glycine 0 CA--C 1.518 0.251 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -71.83 137.63 47.69 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -61.61 -38.89 89.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.103 0.478 . . . . 0.0 110.905 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -66.62 -34.74 78.55 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -124.48 147.83 48.09 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 tp -106.58 124.77 50.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.55 -1.204 . . . . 0.0 108.851 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.451 ' HG ' ' H ' ' B' ' 32' ' ' GLU . 53.7 p -83.68 159.73 21.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.643 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -58.43 -39.06 78.76 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.559 -0.857 . . . . 0.0 110.171 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -58.11 -42.44 85.75 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.951 -0.699 . . . . 0.0 109.758 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.499 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 97.9 mt-10 -66.47 -38.83 88.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.863 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 32.8 tp -64.81 -43.83 91.86 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.855 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -60.34 -45.99 91.51 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-O 120.994 0.426 . . . . 0.0 110.9 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.17 -39.77 93.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.754 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 48.3 tp -61.31 -51.87 67.06 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.368 -0.533 . . . . 0.0 112.277 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 42.9 mt -70.97 -37.67 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.02 -0.672 . . . . 0.0 112.392 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.67 -46.3 90.33 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 118.869 -1.132 . . . . 0.0 111.094 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.4 m -75.69 -48.5 21.72 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -76.63 -33.14 58.37 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.681 ' CD2' ' H ' ' B' ' 43' ' ' GLY . 5.1 tt -97.12 143.38 27.99 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.398 0.618 . . . . 0.0 110.549 -177.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.599 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.1 t -49.1 -24.84 1.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.717 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.681 ' H ' ' CD2' ' B' ' 41' ' ' LEU . . . -44.38 -11.63 0.02 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.599 ' N ' ' O ' ' B' ' 42' ' ' SER . 65.8 t80 -49.33 -40.85 36.72 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 28.8 tp -57.94 -35.83 71.67 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' B' ' 43' ' ' GLY . 88.7 m-20 -80.23 9.26 5.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.509 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -58.09 -24.88 60.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.545 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.509 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.8 mt-30 -53.18 -157.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -57.0 -27.63 61.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.441 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -54.82 -34.57 62.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.119 0.485 . . . . 0.0 109.734 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.405 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 5.3 p -52.89 -29.7 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.934 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.33 -35.42 62.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.783 0.325 . . . . 0.0 110.654 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.66 -27.84 59.48 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.044 0.449 . . . . 0.0 109.95 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 4.9 p -52.64 -37.71 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -64.23 -41.38 97.03 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.113 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.97 -40.32 97.35 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 10.4 m -71.57 -31.66 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 119.778 -0.769 . . . . 0.0 112.028 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.4 mmm -58.36 -37.3 74.92 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.793 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.37 -44.3 95.73 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.842 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.67 -40.57 84.44 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.83 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 76.9 mt -67.42 -36.6 81.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.856 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.535 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 42.7 t0 -86.0 105.45 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.575 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.16 -37.32 83.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.468 0.651 . . . . 0.0 109.441 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -58.84 -37.54 76.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.072 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.49 7.03 88.78 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 108.015 -2.034 . . . . 0.0 108.015 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.2 p30 -63.1 -33.88 76.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 114.174 -1.013 . . . . 0.0 112.979 -179.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.6 -4.02 66.08 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.5 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 95.7 mt-10 -111.24 154.17 24.82 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 32.5 m -124.46 149.77 28.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 122.075 0.941 . . . . 0.0 112.786 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -106.98 166.56 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.276 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -51.24 -41.61 60.46 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.436 -0.906 . . . . 0.0 109.769 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -59.66 -42.71 93.45 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.482 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -68.72 -38.09 79.97 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 119.609 -0.837 . . . . 0.0 110.422 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -62.22 -44.84 95.66 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.401 HG12 ' N ' ' B' ' 76' ' ' VAL . 3.6 p -60.51 -39.38 81.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.052 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.401 ' N ' HG12 ' B' ' 75' ' ' VAL . 30.1 m -75.63 -33.51 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.755 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.4 tt -60.9 -42.43 98.01 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.047 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.9 m -73.57 -32.32 35.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.752 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.45 87.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.022 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.71 -42.0 95.59 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.99 -0.684 . . . . 0.0 109.967 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 mt -64.4 -36.02 82.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.412 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 71.0 m -52.91 -38.34 61.7 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.827 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 78.6 t -60.22 -35.52 62.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.259 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.9 90.11 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.926 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 10.2 ttp -59.73 -38.85 82.82 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.573 -0.851 . . . . 0.0 108.854 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -58.48 -41.67 85.8 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.278 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -60.96 -41.59 96.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.7 -40.99 94.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.327 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -53.03 -39.01 62.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.947 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.38 -35.61 63.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.437 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.04 -32.93 73.49 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.573 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' B' ' 93' ' ' SER . 26.9 t30 -102.16 128.38 48.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.418 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.748 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 m -63.02 153.91 32.39 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 120.977 0.418 . . . . 0.0 110.619 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.16 -35.86 78.24 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.9 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.66 -42.76 93.58 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.5 -41.36 93.29 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.569 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -61.55 -42.68 99.19 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.785 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.53 -40.01 85.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.709 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.4 ttm -60.71 -44.77 96.17 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.1 -32.13 67.8 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.318 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.6 m -56.97 -37.07 71.08 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.22 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.1 -41.72 99.44 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.175 -1.01 . . . . 0.0 110.728 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.438 HD11 HG23 ' A' ' 12' ' ' ILE . 75.2 mt -65.36 -44.47 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.015 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -60.73 -41.44 95.35 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.849 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.421 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 25.4 m -73.19 -39.28 56.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 C-N-CA 119.735 -0.786 . . . . 0.0 110.307 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -61.19 -47.93 83.89 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.001 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.9 -46.63 86.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.178 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.78 -49.1 69.55 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 120.099 -0.64 . . . . 0.0 112.022 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.578 ' CD2' ' OE2' ' A' ' 40' ' ' GLU . 85.3 m-70 -63.23 -49.03 75.79 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.632 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 m -62.32 -39.99 94.88 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.058 0.456 . . . . 0.0 111.18 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.21 -35.51 92.17 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-N 115.48 -0.782 . . . . 0.0 113.301 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -58.3 -40.93 83.31 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -127.44 152.45 47.52 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.923 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.97 -160.42 26.22 Favored Glycine 0 CA--C 1.521 0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.696 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.16 138.36 47.61 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.91 -38.29 85.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.287 0.565 . . . . 0.0 110.469 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -66.82 -32.7 74.15 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -114.99 146.22 41.45 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 tp -105.24 131.54 52.57 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.33 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.1 t -103.03 148.89 25.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.589 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 38.4 tttt -55.48 -36.92 67.13 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 118.863 -1.135 . . . . 0.0 109.97 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -55.41 -40.72 71.81 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.1 -37.22 85.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 177.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.5 tp -63.34 -46.73 85.28 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.692 -178.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.504 ' CE ' ' NZ ' ' A' ' 30' ' ' LYS . 97.9 mttt -59.7 -44.06 93.84 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 118.055 -1.458 . . . . 0.0 110.341 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.83 -37.21 85.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.7 -44.34 93.96 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -69.69 -42.54 73.98 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.705 179.169 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.82 -43.34 96.52 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 119.395 -0.922 . . . . 0.0 111.908 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.0 m -71.56 -44.18 65.01 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.578 ' OE2' ' CD2' ' A' ' 18' ' ' HIS . 96.4 mt-10 -75.72 -33.21 60.28 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -177.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.56 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.9 tp -101.1 126.71 47.81 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 119.587 -0.845 . . . . 0.0 112.447 -176.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.551 ' C ' ' H ' ' A' ' 44' ' ' PHE . 86.5 p -60.44 -26.64 66.88 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.36 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' A' ' 47' ' ' ALA . . . -47.98 -13.41 0.2 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' H ' ' C ' ' A' ' 42' ' ' SER . 88.3 t80 -50.67 -40.15 52.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.278 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.2 tp -57.61 -41.42 81.25 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.187 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -107.6 4.78 26.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 43' ' ' GLY . . . -64.06 -29.25 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.541 ' C ' ' O ' ' A' ' 47' ' ' ALA . 93.1 mt-30 -7.58 -98.05 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 41.6 pttt -57.76 -35.23 70.47 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -54.75 -29.44 53.86 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.102 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 48' ' ' GLN . 13.8 m -54.33 -34.9 28.92 Favored 'Isoleucine or valine' 0 C--N 1.337 0.034 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.37 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.9 p30 -59.79 -33.18 71.37 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.445 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.669 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -56.85 -27.14 59.86 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.77 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.0 t -55.41 -40.3 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.0 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.589 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 89.5 m-20 -63.31 -42.6 99.03 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 119.411 -0.916 . . . . 0.0 111.144 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.91 -41.28 97.72 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.3 m -73.56 -34.17 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.26 -38.46 76.97 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.609 -0.837 . . . . 0.0 111.72 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.63 -44.9 96.12 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.915 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -68.21 -43.5 77.88 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.02 -37.57 84.4 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.528 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 45.9 t0 -87.93 104.94 17.1 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.466 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -68.44 -35.51 77.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.503 0.668 . . . . 0.0 109.615 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -59.17 -38.82 80.71 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.103 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.3 6.99 88.96 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 107.94 -2.064 . . . . 0.0 107.94 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.661 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 46.8 p30 -63.13 -33.84 76.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.234 -0.983 . . . . 0.0 113.052 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.661 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.75 -5.44 66.74 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.484 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 96.0 mt-10 -112.19 154.37 25.65 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.4 m -124.6 150.27 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.92 0.867 . . . . 0.0 112.435 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -104.62 163.73 12.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 113.884 -1.507 . . . . 0.0 108.585 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -51.53 -40.95 60.62 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.754 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -58.85 -41.76 87.74 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.149 -0.62 . . . . 0.0 111.161 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -68.61 -39.06 81.0 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.356 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -63.06 -44.61 95.34 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.0 p -59.44 -39.24 78.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.616 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.2 m -75.22 -32.94 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 119.797 -0.761 . . . . 0.0 109.536 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 tt -59.19 -42.76 91.64 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.812 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.2 m -73.7 -32.11 34.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.239 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.17 85.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.333 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.31 95.65 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.049 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 mt -64.62 -35.76 82.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.488 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.6 m -52.9 -37.3 60.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.695 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.2 t -58.96 -35.78 58.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.277 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.72 -37.16 80.81 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.673 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -59.29 -38.63 80.66 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.606 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -58.09 -44.28 87.55 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.124 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -63.04 -41.21 99.44 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.208 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.598 ' CZ ' ' OE2' ' A' ' 91' ' ' GLU . 67.7 t80 -60.74 -43.8 97.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.725 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -54.29 -36.92 64.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.376 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -52.48 -31.21 33.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.339 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.598 ' OE2' ' CZ ' ' A' ' 88' ' ' PHE . 15.9 pt-20 -58.76 -29.15 66.55 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.37 -178.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -56.07 -34.5 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.516 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.581 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.5 m -63.06 154.01 32.19 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.941 0.401 . . . . 0.0 110.642 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.24 -35.8 78.23 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.929 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.7 -42.66 93.5 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.63 -41.3 92.83 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.439 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -61.6 -42.73 99.28 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.719 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.03 84.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.661 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 47.4 ttm -60.7 -44.68 96.26 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.26 -32.1 68.05 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.287 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.0 m -56.91 -37.15 71.03 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.211 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.13 -41.71 99.36 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.164 -1.014 . . . . 0.0 110.735 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.418 HG23 HD11 ' B' ' 12' ' ' ILE . 75.2 mt -65.19 -44.58 95.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.047 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.76 -41.35 95.27 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.847 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.423 ' O ' ' CD2' ' B' ' 18' ' ' HIS . 25.2 m -73.18 -39.38 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.323 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -61.13 -47.84 84.37 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.069 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.02 -46.59 86.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.169 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.86 -48.96 69.82 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.975 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.578 ' CD2' ' OE2' ' B' ' 40' ' ' GLU . 85.5 m-70 -63.33 -49.06 75.43 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.601 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -62.24 -40.05 94.89 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.228 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.15 -35.57 92.26 Favored Glycine 0 CA--C 1.524 0.651 0 CA-C-N 115.392 -0.822 . . . . 0.0 113.252 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -58.3 -40.99 83.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -127.33 152.39 47.53 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.948 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.03 -160.39 26.56 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -72.21 138.4 47.52 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.91 -38.2 84.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.212 0.53 . . . . 0.0 110.518 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -66.92 -32.71 74.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -114.92 146.05 41.56 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 tp -105.1 131.45 52.58 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.347 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.3 t -102.98 148.86 25.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.587 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 38.5 tttt -55.41 -36.89 66.93 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 118.906 -1.118 . . . . 0.0 109.978 -178.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -55.48 -40.64 71.95 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.18 -37.14 84.91 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.37 -46.65 85.53 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.68 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.498 ' CE ' ' NZ ' ' B' ' 30' ' ' LYS . 98.0 mttt -59.73 -44.11 93.89 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 118.092 -1.443 . . . . 0.0 110.297 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -65.82 -37.25 85.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.021 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.7 -44.32 94.0 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -69.72 -42.59 73.8 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.687 179.193 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.78 -43.36 96.6 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.886 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -71.51 -44.23 65.02 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.578 ' OE2' ' CD2' ' B' ' 18' ' ' HIS . 96.3 mt-10 -75.66 -33.27 60.42 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -177.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.551 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.8 tp -101.03 126.71 47.73 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 119.612 -0.835 . . . . 0.0 112.478 -176.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.551 ' C ' ' H ' ' B' ' 44' ' ' PHE . 86.9 p -60.45 -26.72 66.96 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.344 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.573 ' O ' ' N ' ' B' ' 47' ' ' ALA . . . -47.92 -13.39 0.19 Allowed Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.551 ' H ' ' C ' ' B' ' 42' ' ' SER . 88.5 t80 -50.69 -40.1 53.02 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 120.641 -0.423 . . . . 0.0 111.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.7 -41.42 81.64 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.133 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -107.6 4.95 26.47 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' B' ' 43' ' ' GLY . . . -64.15 -29.18 70.31 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -178.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.55 ' C ' ' O ' ' B' ' 47' ' ' ALA . 93.2 mt-30 -7.64 -97.99 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 41.6 pttt -57.79 -35.28 70.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.75 -29.4 53.77 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.056 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' B' ' 48' ' ' GLN . 13.9 m -54.37 -34.86 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.379 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 52.0 p30 -59.8 -33.17 71.38 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.457 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.669 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.01 -26.96 61.16 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.747 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -55.42 -40.37 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.014 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.587 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 89.3 m-20 -63.34 -42.51 98.95 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 119.465 -0.894 . . . . 0.0 111.156 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.96 -41.35 97.6 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 16.2 m -73.59 -34.05 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.36 -38.38 77.13 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.746 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.71 -44.82 96.19 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.945 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -68.25 -43.52 77.68 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.0 -37.59 84.47 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.541 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 45.8 t0 -87.88 104.98 17.11 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.835 -0.746 . . . . 0.0 111.486 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 60.8 mp0 -68.51 -35.5 77.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.452 0.644 . . . . 0.0 109.604 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -59.19 -38.77 80.65 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.117 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.26 6.97 88.96 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.659 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.0 p30 -63.16 -33.74 76.13 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 114.125 -1.038 . . . . 0.0 113.076 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.659 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.75 -5.42 66.73 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.502 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 96.0 mt-10 -112.2 154.4 25.61 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 19.5 m -124.61 150.25 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.965 0.888 . . . . 0.0 112.373 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -104.64 163.72 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 113.892 -1.504 . . . . 0.0 108.525 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -51.51 -41.08 60.75 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.666 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -58.74 -41.69 87.07 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.221 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -68.73 -39.01 80.59 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 119.596 -0.841 . . . . 0.0 110.394 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -63.13 -44.63 95.04 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 4.0 p -59.5 -39.17 78.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.644 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 34.3 m -75.19 -32.99 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.456 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 tt -59.25 -42.77 91.89 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.796 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 m -73.55 -32.25 35.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 121.252 0.548 . . . . 0.0 111.228 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.12 85.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.389 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.32 95.58 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.976 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.2 mt -64.67 -35.76 82.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.324 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 56.7 m -52.95 -37.16 60.77 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.727 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.14 -35.65 58.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.291 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.67 -37.18 80.74 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.749 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -59.38 -38.44 80.51 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.61 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -58.26 -44.2 88.25 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.112 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -63.01 -41.24 99.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.216 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.595 ' CZ ' ' OE2' ' B' ' 91' ' ' GLU . 67.6 t80 -60.75 -43.82 97.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.732 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -54.23 -37.01 64.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.315 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -52.53 -31.05 33.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.364 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.595 ' OE2' ' CZ ' ' B' ' 88' ' ' PHE . 15.9 pt-20 -58.91 -29.09 66.8 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.288 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -56.15 -34.37 66.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.571 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.6 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -109.63 147.93 32.21 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 110.465 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.53 -36.28 78.03 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.934 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.12 -42.84 95.62 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.82 -41.85 91.34 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.769 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.1 m -61.89 -42.71 99.39 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.57 -39.46 84.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.557 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.2 ttm -60.26 -43.64 96.0 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.879 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.34 -31.53 67.66 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.243 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.5 m -56.3 -37.36 69.78 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.032 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 mt -62.3 -41.89 98.9 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 118.863 -1.135 . . . . 0.0 110.135 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.465 HG23 HD13 ' A' ' 12' ' ' ILE . 74.5 mt -66.39 -41.59 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.078 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -59.92 -44.0 94.56 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.671 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.506 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 24.3 m -74.71 -39.85 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -62.97 -49.77 73.4 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.254 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -64.7 -47.66 77.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.51 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.83 61.87 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 119.995 -0.682 . . . . 0.0 111.653 -178.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.506 ' ND1' ' O ' ' A' ' 14' ' ' VAL . 77.4 m80 -61.92 -46.2 90.36 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.262 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 t -61.41 -41.46 97.18 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.08 0.467 . . . . 0.0 110.859 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.575 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . . . -63.13 -39.33 97.85 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.966 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -59.96 -42.57 94.37 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.503 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.2 mt-10 -129.59 148.97 51.54 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.855 -179.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.29 -164.92 53.75 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.41 136.81 49.9 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' NZ ' ' O ' ' A' ' 20' ' ' GLY . 59.9 mmtt -61.04 -40.96 95.6 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.418 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -69.44 -33.1 72.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -117.77 151.85 36.48 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.2 tp -101.11 134.67 43.77 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.633 178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -103.32 150.66 23.55 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.568 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 68.1 tttt -56.73 -36.96 70.34 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.381 -0.927 . . . . 0.0 110.421 -178.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.61 -41.29 73.24 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 118.77 -1.172 . . . . 0.0 107.941 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.503 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 47.7 mt-10 -67.2 -37.69 84.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 120.161 -0.616 . . . . 0.0 109.932 177.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.7 tp -64.59 -48.14 76.06 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.531 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -60.95 -45.86 93.04 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.913 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.85 -39.14 93.09 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.283 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.475 ' CD1' ' CG ' ' A' ' 18' ' ' HIS . 34.1 tp -63.99 -47.1 81.66 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.43 -0.508 . . . . 0.0 112.121 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -70.45 -41.48 72.77 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.816 179.552 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.94 -43.02 97.13 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.744 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.5 m -71.38 -44.16 65.51 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -75.74 -32.65 60.09 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -177.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.521 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 17.3 tp -99.53 126.39 45.48 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 119.78 -0.768 . . . . 0.0 112.725 -176.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.501 ' C ' ' H ' ' A' ' 44' ' ' PHE . 22.8 t -57.78 -31.38 66.48 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.77 178.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.521 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -46.26 -14.97 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.501 ' H ' ' C ' ' A' ' 42' ' ' SER . 87.2 t80 -51.18 -39.34 56.2 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.049 -0.661 . . . . 0.0 111.51 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.11 -39.97 76.12 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.638 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.52 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 43.9 p30 -97.01 10.51 39.05 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.557 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -60.01 -37.63 80.28 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.732 -178.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.557 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.9 mt-30 22.14 -145.0 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.598 0.561 . . . . 0.0 111.872 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -59.42 -26.91 65.56 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.083 0.468 . . . . 0.0 109.805 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -54.57 -33.14 59.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.924 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.511 ' N ' ' O ' ' A' ' 47' ' ' ALA . 6.4 p -53.13 -31.29 17.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.494 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -54.98 -35.87 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.729 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.62 -27.55 58.5 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.034 0.445 . . . . 0.0 109.858 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.427 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 5.1 p -51.89 -37.5 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.568 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 88.5 m-20 -65.23 -41.57 94.27 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.411 178.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -62.67 -39.84 95.19 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.7 m -70.76 -30.73 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.049 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.7 mmm -56.68 -38.71 72.6 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.32 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.26 -44.5 97.14 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.881 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -67.74 -43.32 80.22 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.288 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.15 -36.77 82.54 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.52 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 47.9 t0 -85.71 103.9 14.93 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.169 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.01 -35.47 78.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.44 0.638 . . . . 0.0 109.527 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -59.1 -38.75 80.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.599 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.49 4.85 90.09 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 107.849 -2.1 . . . . 0.0 107.849 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.5 p30 -63.74 -33.27 75.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.123 -1.038 . . . . 0.0 112.522 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.32 -2.99 63.58 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -109.1 152.45 25.05 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 t -108.15 133.44 53.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.641 0.734 . . . . 0.0 112.141 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -100.01 159.98 14.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.37 -1.286 . . . . 0.0 107.951 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -51.77 -42.34 62.32 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.095 -1.042 . . . . 0.0 110.001 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.28 -41.52 89.09 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.604 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -68.78 -39.03 80.41 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.321 0.581 . . . . 0.0 110.82 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -63.85 -45.51 89.17 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 p -60.22 -39.7 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.562 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.1 m -74.54 -33.29 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.694 178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.11 -42.1 94.03 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.045 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.3 m -73.03 -31.77 36.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 120.369 -0.533 . . . . 0.0 111.52 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.86 -37.6 82.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.71 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.86 -43.8 91.79 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.597 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 mp -65.84 -35.09 79.7 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 120.877 0.37 . . . . 0.0 110.368 178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.5 m -52.13 -38.63 58.1 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.83 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.81 -35.75 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.595 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.89 94.88 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.15 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 47.9 ttp -60.14 -38.03 81.86 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 119.362 -0.935 . . . . 0.0 108.79 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.72 -42.39 88.6 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.791 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.36 -42.52 98.84 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -60.99 -40.35 93.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.344 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -53.48 -38.98 64.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.903 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -53.92 -34.89 60.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.094 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.19 -33.04 67.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.226 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -102.99 136.79 42.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.409 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.555 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -109.8 147.93 32.39 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.36 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.53 -36.26 77.99 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.9 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.18 -42.8 95.76 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.8 -41.79 91.5 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.837 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -61.8 -42.86 99.54 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.815 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.38 85.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.61 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 47.2 ttm -60.35 -43.62 96.3 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.877 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.37 -31.52 67.72 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.247 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.5 m -56.29 -37.27 69.64 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.101 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 mt -62.4 -41.84 98.98 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.129 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.426 HD13 HG23 ' B' ' 12' ' ' ILE . 74.3 mt -66.53 -41.48 88.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.039 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.01 -43.91 94.92 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.657 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.514 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 24.6 m -74.71 -39.88 46.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -62.95 -49.79 73.37 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.264 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -64.63 -47.77 77.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.54 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.41 -50.93 61.77 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 120.02 -0.672 . . . . 0.0 111.697 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' B' ' 14' ' ' VAL . 77.4 m80 -61.85 -46.25 90.26 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.331 -0.547 . . . . 0.0 111.289 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.6 t -61.37 -41.33 96.92 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.579 ' O ' ' NZ ' ' B' ' 25' ' ' LYS . . . -63.23 -39.27 97.7 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.944 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -59.97 -42.66 94.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.498 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.2 mt-10 -129.51 148.99 51.47 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.808 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.37 -164.99 53.73 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.36 136.72 49.93 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.579 ' NZ ' ' O ' ' B' ' 20' ' ' GLY . 60.0 mmtt -60.91 -41.11 95.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.11 0.481 . . . . 0.0 110.338 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -69.39 -33.13 72.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -117.63 151.78 36.51 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -177.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.6 tp -101.07 134.71 43.67 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 114.488 -1.233 . . . . 0.0 109.699 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -103.35 150.6 23.64 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.575 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 68.0 tttt -56.62 -37.0 70.09 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.485 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.53 -41.4 73.14 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 118.846 -1.141 . . . . 0.0 107.961 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.498 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 47.8 mt-10 -67.16 -37.68 84.18 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.965 177.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.63 -48.25 75.53 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.451 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -60.8 -45.97 92.32 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.945 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.74 -39.07 93.02 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.332 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.472 ' CD1' ' CG ' ' B' ' 18' ' ' HIS . 34.2 tp -64.11 -47.04 81.53 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.472 -0.491 . . . . 0.0 112.071 -178.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.9 OUTLIER -70.45 -41.61 72.59 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.723 179.599 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.89 -43.04 97.19 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 119.712 -0.795 . . . . 0.0 111.783 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.7 m -71.36 -44.18 65.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -75.75 -32.61 60.06 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.515 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 17.2 tp -99.56 126.38 45.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 119.763 -0.775 . . . . 0.0 112.692 -176.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.5 ' C ' ' H ' ' B' ' 44' ' ' PHE . 22.7 t -57.77 -31.42 66.5 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.756 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.515 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -46.15 -15.02 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.5 ' H ' ' C ' ' B' ' 42' ' ' SER . 87.4 t80 -51.13 -39.37 56.1 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.568 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.13 -39.9 76.07 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.607 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.515 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 43.9 p30 -97.15 10.54 39.13 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.556 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -60.03 -37.71 80.6 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.707 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.556 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.9 mt-30 22.14 -145.06 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.554 0.534 . . . . 0.0 111.907 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -59.41 -26.75 65.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.084 0.469 . . . . 0.0 109.87 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.7 -33.15 60.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.917 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' B' ' 47' ' ' ALA . 6.4 p -53.07 -31.32 17.33 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.489 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.04 -35.74 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.757 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.74 -27.35 59.15 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.136 0.494 . . . . 0.0 109.887 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.423 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 5.2 p -52.0 -37.59 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.575 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 87.9 m-20 -65.12 -41.51 94.79 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.51 178.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.81 -39.71 95.14 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 13.5 m -70.74 -30.95 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.966 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.7 mmm -56.62 -38.72 72.49 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.283 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.3 -44.5 97.11 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.746 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -67.72 -43.33 80.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.314 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.1 -36.86 82.86 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 47.9 t0 -85.72 103.95 14.98 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 119.822 -0.751 . . . . 0.0 111.205 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.98 -35.49 78.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.392 0.615 . . . . 0.0 109.539 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -59.12 -38.74 80.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.604 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.51 4.83 90.11 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.647 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 48.0 p30 -63.76 -33.2 75.14 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.205 -0.998 . . . . 0.0 112.465 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.647 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.33 -3.1 63.62 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.616 -0.993 . . . . 0.0 110.616 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -109.01 152.4 25.04 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 34.3 t -108.13 133.33 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 112.172 -177.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -99.9 159.95 14.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.022 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -51.72 -42.35 62.2 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.146 -1.021 . . . . 0.0 110.01 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.28 -41.51 89.07 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.604 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -68.86 -38.96 80.07 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.888 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -63.85 -45.56 88.95 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.5 p -60.11 -39.61 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.634 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 30.5 m -74.74 -33.28 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.572 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.01 -42.17 93.71 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 23.2 m -73.02 -31.73 36.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.54 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.78 83.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.732 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.82 92.09 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.618 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 mp -65.89 -35.01 79.46 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.342 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 70.5 m -52.19 -38.62 58.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.789 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.83 -35.76 66.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.573 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.84 94.75 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.366 -0.534 . . . . 0.0 111.041 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 48.0 ttp -60.14 -38.02 81.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 119.439 -0.904 . . . . 0.0 108.791 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.77 -42.46 88.99 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.728 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.25 -42.53 98.78 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.304 0.573 . . . . 0.0 109.463 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -60.98 -40.29 92.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.416 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -53.53 -39.08 64.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.812 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -53.71 -34.99 60.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.164 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.16 -33.0 66.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.284 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.02 136.79 42.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.443 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.667 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.49 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 29.5 t -107.49 142.4 37.43 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.952 0.405 . . . . 0.0 110.487 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.06 -37.46 71.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.761 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.0 tp -59.37 -42.69 92.18 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.376 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -66.38 -38.51 87.71 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.393 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 m -60.34 -43.02 96.83 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.172 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.31 83.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.045 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.1 ttm -60.14 -43.65 95.55 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -57.86 -31.11 66.37 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.262 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.0 m -56.0 -37.69 69.46 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.293 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.25 -42.44 99.18 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.186 -1.005 . . . . 0.0 110.818 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.572 ' CG2' ' CE1' ' A' ' 16' ' ' HIS . 74.7 mt -65.38 -43.68 94.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.952 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -60.41 -41.07 93.14 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.709 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.403 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 29.9 m -73.22 -38.02 53.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.404 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -60.59 -48.79 80.2 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.651 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.572 ' CE1' ' CG2' ' A' ' 12' ' ' ILE . 54.7 m170 -62.38 -46.05 90.39 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.196 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.59 -48.54 74.57 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.785 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.403 ' ND1' ' O ' ' A' ' 14' ' ' VAL . 72.9 m80 -62.58 -47.38 84.06 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.214 -0.595 . . . . 0.0 111.67 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.9 t -61.26 -41.0 96.17 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.973 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.28 96.21 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.42 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.05 -41.17 87.24 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -125.4 149.33 48.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 111.19 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.76 -162.05 3.4 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -73.14 135.67 44.73 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.01 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -60.03 -39.0 84.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.08 0.466 . . . . 0.0 110.869 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -64.87 -32.01 73.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.368 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -114.82 141.47 47.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.311 0.577 . . . . 0.0 111.912 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -110.7 132.88 53.81 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.447 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.9 m -104.09 150.96 23.83 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 25.7 tttm -56.07 -35.73 67.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 118.644 -1.222 . . . . 0.0 109.371 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.54 -40.85 72.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.32 -37.52 85.56 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.0 tp -62.42 -44.22 96.95 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.052 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HE2' ' HZ3' ' A' ' 30' ' ' LYS . 77.3 mttt -59.91 -42.59 94.24 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.218 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.23 -40.49 94.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.339 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.92 -43.49 92.64 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.024 -179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -68.48 -43.5 76.79 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 120.491 -0.483 . . . . 0.0 112.161 -179.819 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.57 -43.66 93.18 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.952 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.1 m -71.73 -47.04 56.49 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.492 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.6 mm-40 -76.89 -33.82 57.78 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -177.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.486 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 12.2 tp -103.0 138.81 39.38 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.576 0.703 . . . . 0.0 112.751 -176.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.621 ' O ' ' N ' ' A' ' 44' ' ' PHE . 26.5 m -51.35 -27.0 8.58 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.568 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -43.51 -10.27 0.01 OUTLIER Glycine 0 CA--C 1.524 0.609 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.472 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 42' ' ' SER . 60.4 t80 -45.59 -37.57 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.8 -35.92 69.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.732 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.568 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 33.1 p30 -83.64 11.35 7.39 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.922 0.391 . . . . 0.0 110.686 -179.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.505 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -58.16 -25.01 60.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.529 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.505 ' O ' ' O ' ' A' ' 47' ' ' ALA . 94.5 mm-40 -54.88 -152.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.992 0.425 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -56.43 -27.92 58.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.774 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.92 -35.03 63.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.912 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.419 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 5.6 p -53.7 -29.55 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.698 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.65 -34.95 60.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.71 -28.71 61.43 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.387 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.433 ' O ' HG11 ' A' ' 57' ' ' VAL . 4.8 p -55.34 -34.67 34.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.142 0.496 . . . . 0.0 109.838 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -64.6 -43.16 94.7 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.939 -0.705 . . . . 0.0 112.089 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -69.37 -45.97 68.08 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.476 0.655 . . . . 0.0 112.072 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.433 HG11 ' O ' ' A' ' 54' ' ' VAL . 3.0 p -63.87 -32.13 55.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.637 -178.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.421 ' SD ' ' HD2' ' A' ' 30' ' ' LYS . 17.8 ttt -55.77 -38.39 69.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.441 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -59.16 -40.76 86.57 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.742 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.73 -39.55 88.03 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.203 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.1 mt -67.59 -37.31 82.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.852 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -85.92 107.44 17.72 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.243 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.84 -35.88 81.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.162 0.506 . . . . 0.0 110.004 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -59.09 -38.77 80.31 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.191 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.79 14.03 81.81 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 108.742 -1.743 . . . . 0.0 108.742 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.5 p30 -90.09 2.53 55.15 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.26 9.56 60.97 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -105.22 143.22 33.69 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.5 t -108.98 130.36 62.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-O 121.763 0.792 . . . . 0.0 111.488 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -110.63 160.85 16.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.754 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -53.28 -41.77 65.91 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.641 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.39 -40.81 87.75 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.05 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -67.46 -38.35 84.31 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.712 -0.795 . . . . 0.0 109.812 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -63.11 -44.3 96.04 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.249 -0.887 . . . . 0.0 113.322 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 76' ' ' VAL . 2.8 p -59.77 -38.88 78.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 119.764 -0.775 . . . . 0.0 110.655 -178.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.412 ' N ' HG13 ' A' ' 75' ' ' VAL . 30.7 m -75.66 -34.23 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.861 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.2 -42.09 94.37 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.179 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.1 m -73.25 -33.47 41.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 120.219 -0.593 . . . . 0.0 111.133 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.89 90.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.225 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.18 -42.82 93.26 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.312 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.7 mt -64.57 -36.67 84.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.608 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.0 m -53.22 -37.86 62.39 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.804 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 85.8 t -60.07 -35.27 60.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.215 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.12 -34.36 76.2 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.772 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.7 ttp -58.6 -38.17 77.41 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.378 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -57.93 -42.73 85.45 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -62.42 -40.94 98.18 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 113.794 -1.548 . . . . 0.0 110.172 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.56 -41.14 93.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.401 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -53.11 -39.53 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.892 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.8 -34.85 63.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.701 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.25 -32.72 72.53 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.66 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -100.05 120.0 39.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.538 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.58 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.627 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.492 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 29.0 t -107.41 142.41 37.28 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.993 0.425 . . . . 0.0 110.52 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.07 -37.45 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.818 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 tp -59.39 -42.59 92.07 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.503 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -66.37 -38.56 87.84 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.35 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.4 m -60.14 -43.19 95.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.22 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.4 83.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.999 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 47.2 ttm -60.15 -43.67 95.58 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.381 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -57.83 -31.08 66.28 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.32 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 39.1 m -56.12 -37.65 69.71 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.237 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.2 -42.47 99.31 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 119.16 -1.016 . . . . 0.0 110.828 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.578 ' CG2' ' CE1' ' B' ' 16' ' ' HIS . 74.5 mt -65.33 -43.66 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.052 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.53 -40.99 93.48 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.595 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 30.2 m -73.24 -38.07 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.424 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.49 -48.86 79.93 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.703 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.578 ' CE1' ' CG2' ' B' ' 12' ' ' ILE . 54.6 m170 -62.27 -46.11 90.27 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.264 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.57 -48.43 75.02 Favored 'General case' 0 C--N 1.334 -0.097 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.869 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -62.73 -47.27 84.31 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.636 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.9 t -61.38 -40.96 96.27 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.989 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.18 -38.32 96.32 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.44 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.08 -41.14 87.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -125.37 149.24 48.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 111.233 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.86 -162.04 3.52 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.36 135.8 44.33 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.556 -0.457 . . . . 0.0 109.976 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -60.01 -39.04 84.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.038 0.447 . . . . 0.0 110.861 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -64.93 -31.97 73.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.332 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -114.76 141.44 47.85 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.317 0.58 . . . . 0.0 111.978 -178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -110.77 132.82 53.87 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.439 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.7 m -104.09 151.04 23.75 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.412 ' HD2' ' SD ' ' B' ' 58' ' ' MET . 25.7 tttm -56.11 -35.78 67.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 118.655 -1.218 . . . . 0.0 109.279 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.49 -40.91 72.29 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.28 -37.49 85.56 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.45 -44.21 96.95 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.108 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.405 ' HE2' ' HZ3' ' B' ' 30' ' ' LYS . 77.3 mttt -59.85 -42.65 94.08 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 119.025 -1.07 . . . . 0.0 110.26 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.17 -40.51 94.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.338 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.89 -43.55 92.55 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.201 -0.599 . . . . 0.0 111.072 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.444 ' N ' HD23 ' B' ' 37' ' ' LEU . 0.5 OUTLIER -68.43 -43.46 77.07 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 120.502 -0.479 . . . . 0.0 112.207 -179.867 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.57 -43.67 93.13 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.052 -1.059 . . . . 0.0 111.995 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -71.77 -46.94 56.73 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.49 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 77.6 mm-40 -76.97 -33.77 57.61 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.48 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 12.2 tp -103.04 138.87 39.33 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.572 0.701 . . . . 0.0 112.734 -176.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.623 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.5 m -51.33 -27.01 8.52 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.555 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -43.46 -10.35 0.01 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.623 ' N ' ' O ' ' B' ' 42' ' ' SER . 60.3 t80 -45.58 -37.59 5.66 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.73 -35.99 69.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.783 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.555 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 33.2 p30 -83.63 11.49 7.16 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.926 0.393 . . . . 0.0 110.697 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -58.17 -25.03 61.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.54 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.501 ' O ' ' O ' ' B' ' 47' ' ' ALA . 94.5 mm-40 -54.89 -152.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.967 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -56.42 -27.99 58.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.696 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.91 -35.05 63.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.969 0.414 . . . . 0.0 109.886 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 5.6 p -53.81 -29.39 17.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.682 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.72 -34.94 60.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.74 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.72 -28.8 61.65 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.337 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.434 ' O ' HG11 ' B' ' 57' ' ' VAL . 4.8 p -55.33 -34.6 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.88 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -64.55 -43.24 94.58 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.979 -0.688 . . . . 0.0 112.069 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -69.29 -45.98 68.3 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.531 0.681 . . . . 0.0 112.124 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.434 HG11 ' O ' ' B' ' 54' ' ' VAL . 3.0 p -63.9 -32.15 55.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.628 -178.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.412 ' SD ' ' HD2' ' B' ' 30' ' ' LYS . 17.9 ttt -55.73 -38.32 69.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.437 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -59.14 -40.85 86.8 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.748 -178.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.68 -39.66 88.22 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 67.2 mt -67.51 -37.36 82.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.855 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -85.98 107.51 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.227 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.01 -35.78 80.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.978 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -59.02 -38.78 80.09 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.227 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.71 14.14 81.6 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 108.739 -1.745 . . . . 0.0 108.739 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -90.1 2.47 55.23 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.29 9.53 61.01 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -105.12 143.16 33.68 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.0 130.32 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-O 121.693 0.759 . . . . 0.0 111.586 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -110.66 160.8 16.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.432 -1.258 . . . . 0.0 108.695 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -53.13 -41.87 65.49 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.22 -0.992 . . . . 0.0 109.612 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.41 -40.82 87.86 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.052 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -67.38 -38.45 84.73 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.807 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -63.13 -44.32 95.91 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.249 -0.887 . . . . 0.0 113.298 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.414 HG13 ' N ' ' B' ' 76' ' ' VAL . 2.7 p -59.73 -38.85 77.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.693 -178.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.414 ' N ' HG13 ' B' ' 75' ' ' VAL . 30.9 m -75.67 -34.2 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.918 178.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.24 -42.08 94.51 Favored 'General case' 0 C--O 1.23 0.055 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 23.2 m -73.25 -33.4 41.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.185 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.32 -38.77 90.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.196 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.16 -42.87 93.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.309 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.3 mt -64.54 -36.67 84.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.553 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.6 m -53.16 -38.02 62.39 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.727 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 83.4 t -59.87 -35.38 60.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.279 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.42 76.23 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.847 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 4.7 ttp -58.58 -38.19 77.38 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 119.821 -0.751 . . . . 0.0 110.334 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -57.84 -42.88 85.32 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -62.41 -40.9 98.03 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.216 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.61 -41.12 94.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.387 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -53.12 -39.46 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.948 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.85 -34.78 63.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.738 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.38 -32.62 72.54 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.624 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.09 120.03 39.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.532 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.56 -179.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.528 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 46.6 t -107.51 140.0 41.17 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.76 0.314 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -61.87 -37.37 84.3 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -61.64 -41.43 97.5 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.988 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.27 -40.97 94.61 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.445 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.5 m -62.04 -43.19 99.38 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.777 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.75 85.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.309 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.2 ttp -61.44 -43.34 99.04 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.326 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.37 -31.37 67.58 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.066 0.46 . . . . 0.0 110.134 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.3 m -56.39 -35.87 68.24 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.83 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.5 mt -60.3 -41.38 93.3 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 118.94 -1.104 . . . . 0.0 110.959 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.42 HD13 HG21 ' A' ' 12' ' ' ILE . 77.2 mt -63.98 -47.22 91.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.034 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -60.17 -43.03 96.15 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.422 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 26.5 m -71.72 -35.9 57.13 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 C-N-CA 119.946 -0.702 . . . . 0.0 110.259 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.41 ' O ' ' OG ' ' A' ' 19' ' ' SER . 66.0 t80 -60.1 -49.83 76.08 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.729 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -63.8 -47.09 82.26 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.3 -51.58 55.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 120.019 -0.672 . . . . 0.0 112.087 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.439 ' CD2' ' CD1' ' A' ' 36' ' ' LEU . 75.5 m80 -62.23 -46.99 86.39 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.292 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 19.7 m -61.59 -38.86 89.1 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.122 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.52 -38.19 95.95 Favored Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -59.6 -40.05 86.23 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -126.22 155.69 41.43 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -177.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.22 -136.92 48.03 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-N 114.495 -1.23 . . . . 0.0 112.857 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -82.85 119.8 24.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -59.35 -38.42 80.34 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.474 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -67.29 -33.04 74.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.426 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -121.27 150.89 40.71 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.639 0.733 . . . . 0.0 112.954 -178.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.5 tp -101.48 131.6 47.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.7 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -103.9 151.37 23.22 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.882 0.372 . . . . 0.0 110.013 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.687 ' NZ ' ' SD ' ' A' ' 58' ' ' MET . 38.3 tttt -57.33 -37.84 73.16 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.094 -178.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -56.29 -41.57 76.13 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.552 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.4 mt-10 -66.57 -37.12 84.26 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.076 177.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.1 tp -64.98 -46.66 80.55 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -60.16 -47.79 84.44 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 118.629 -1.228 . . . . 0.0 109.76 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.457 ' O ' ' OG1' ' A' ' 39' ' ' THR . 84.4 tt0 -62.82 -39.98 95.97 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.005 -1.452 . . . . 0.0 111.686 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' CD1' ' CD2' ' A' ' 18' ' ' HIS . 39.7 tp -65.61 -47.93 74.0 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.453 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.566 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -69.89 -43.98 70.65 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 119.558 -0.857 . . . . 0.0 111.841 -179.687 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -65.46 -41.67 93.15 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.85 -0.74 . . . . 0.0 111.414 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 48.5 m -69.47 -44.38 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 76.0 mm-40 -76.26 -33.84 59.16 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.0 mt -100.04 150.8 22.07 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.608 ' O ' ' N ' ' A' ' 44' ' ' PHE . 26.3 m -53.61 -28.0 30.0 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 113.837 -1.528 . . . . 0.0 108.078 178.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -44.91 -8.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.606 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.508 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.608 ' N ' ' O ' ' A' ' 42' ' ' SER . 66.7 t80 -48.47 -37.77 18.21 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -55.4 -35.8 65.73 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 48' ' ' GLN . 52.5 t0 -54.37 -31.29 54.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.562 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -32.87 -23.08 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.901 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.658 ' N ' ' O ' ' A' ' 46' ' ' ASP . 94.1 mt-30 -51.5 -174.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -56.37 -28.63 59.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.381 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.27 -34.19 63.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.18 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.405 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 5.1 p -52.18 -27.17 9.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.944 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -53.0 -35.38 59.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.682 0.277 . . . . 0.0 111.017 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.26 -28.23 62.78 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.053 0.454 . . . . 0.0 110.175 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 4.6 p -53.12 -36.76 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.407 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 88.8 m-20 -65.27 -42.57 93.09 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.034 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -63.1 -41.17 99.33 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.5 m -73.76 -29.32 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.687 ' SD ' ' NZ ' ' A' ' 30' ' ' LYS . 16.6 ttt -54.62 -38.26 66.6 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.014 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -59.01 -39.98 83.51 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.532 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.36 -39.78 89.36 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 73.7 mt -67.69 -37.89 82.93 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.737 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.513 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 57.0 t0 -87.37 103.74 15.77 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.17 -179.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.6 -34.74 76.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.289 0.566 . . . . 0.0 110.358 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -57.9 -38.98 76.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.342 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.12 5.7 81.37 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 107.785 -2.126 . . . . 0.0 107.785 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.8 p30 -63.4 -33.33 75.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.043 -1.079 . . . . 0.0 113.017 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.653 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.14 -1.99 63.24 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -109.81 153.72 24.0 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -106.98 132.91 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 0.0 111.432 -178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 56.8 t0 -102.86 155.29 18.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.054 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.481 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 80.1 t80 -51.82 -41.56 61.86 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.129 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -58.69 -40.5 83.81 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.869 -0.732 . . . . 0.0 110.206 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -67.4 -38.48 84.72 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.67 0.747 . . . . 0.0 109.852 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -62.94 -44.78 95.14 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.148 -0.933 . . . . 0.0 113.208 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 76' ' ' VAL . 2.6 p -60.32 -39.73 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.81 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.408 ' N ' HG12 ' A' ' 75' ' ' VAL . 31.1 m -74.73 -33.35 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.482 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.44 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 15.2 tp -57.64 -45.54 85.32 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.924 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.44 -32.71 43.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.743 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.71 -37.88 85.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.368 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.75 -44.75 84.95 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.178 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.44 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 6.2 mp -65.62 -35.77 81.78 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.656 179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.6 m -52.8 -38.24 60.95 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.391 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.94 -34.87 61.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.633 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.47 84.48 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.635 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.3 ttt -59.84 -39.14 84.12 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.453 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -57.79 -42.58 84.44 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.389 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.64 -41.61 97.74 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.504 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.28 -41.34 93.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.649 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -53.79 -39.53 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.925 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -54.47 -34.76 62.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.237 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -57.48 -33.22 67.77 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.504 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -103.25 136.86 42.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.499 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.568 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.743 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.526 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 46.7 t -107.56 139.95 41.31 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.711 0.291 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -61.74 -37.54 84.6 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -61.53 -41.51 97.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.012 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.21 -41.06 94.85 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.385 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.9 m -61.97 -43.23 99.27 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.703 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.74 85.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.213 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 65.2 ttp -61.4 -43.33 99.05 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.41 -31.3 67.58 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.022 0.439 . . . . 0.0 110.127 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -56.5 -35.89 68.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.75 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.4 mt -60.31 -41.33 93.24 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 118.897 -1.121 . . . . 0.0 111.005 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.431 HG21 HD13 ' B' ' 12' ' ' ILE . 77.4 mt -63.96 -47.24 91.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.027 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -60.16 -42.98 96.07 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.427 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 26.5 m -71.79 -35.88 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.244 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.416 ' O ' ' OG ' ' B' ' 19' ' ' SER . 66.1 t80 -60.07 -49.82 76.13 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 119.399 -0.921 . . . . 0.0 109.752 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -63.68 -47.23 82.03 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.3 -51.46 57.17 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 119.963 -0.695 . . . . 0.0 112.152 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.448 ' CD2' ' CD1' ' B' ' 36' ' ' LEU . 75.5 m80 -62.27 -47.03 86.16 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.259 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 19.7 m -61.66 -38.8 89.09 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.117 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.54 -38.25 96.05 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 115.054 -0.976 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -59.61 -39.98 85.99 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.547 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -126.27 155.71 41.47 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.17 -136.93 47.91 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 114.441 -1.254 . . . . 0.0 112.794 177.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -82.81 119.88 24.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -59.33 -38.39 80.23 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.572 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -67.29 -33.06 74.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.457 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -121.18 150.99 40.47 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -178.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -101.58 131.57 47.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.663 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -103.92 151.38 23.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.064 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.681 ' NZ ' ' SD ' ' B' ' 58' ' ' MET . 38.2 tttt -57.39 -37.79 73.23 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.074 -178.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -56.27 -41.57 76.04 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.547 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -66.55 -37.09 84.24 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.098 177.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.01 -46.77 80.01 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -60.11 -47.74 84.62 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 118.637 -1.225 . . . . 0.0 109.789 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.45 ' O ' ' OG1' ' B' ' 39' ' ' THR . 84.4 tt0 -62.9 -39.85 95.77 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.046 -1.434 . . . . 0.0 111.719 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.448 ' CD1' ' CD2' ' B' ' 18' ' ' HIS . 39.7 tp -65.81 -47.79 73.9 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.092 -0.643 . . . . 0.0 112.422 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.5 OUTLIER -69.91 -43.91 70.77 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 119.529 -0.869 . . . . 0.0 111.903 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -65.55 -41.63 92.78 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.756 -0.777 . . . . 0.0 111.395 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 48.7 m -69.48 -44.36 71.3 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.528 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 75.9 mm-40 -76.24 -33.9 59.19 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 72.5 mt -99.97 150.86 21.98 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.611 ' O ' ' N ' ' B' ' 44' ' ' PHE . 27.1 m -53.63 -28.04 30.56 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 113.889 -1.505 . . . . 0.0 108.037 178.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' B' ' 46' ' ' ASP . . . -44.87 -8.87 0.01 OUTLIER Glycine 0 CA--C 1.524 0.606 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.511 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.611 ' N ' ' O ' ' B' ' 42' ' ' SER . 66.8 t80 -48.57 -37.65 18.47 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 28.4 tp -55.48 -35.82 65.95 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' B' ' 48' ' ' GLN . 52.5 t0 -54.39 -31.24 54.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.54 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -32.88 -23.05 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.912 -178.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.651 ' N ' ' O ' ' B' ' 46' ' ' ASP . 94.0 mt-30 -51.48 -174.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -56.28 -28.67 59.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.866 0.365 . . . . 0.0 110.433 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.33 -34.17 63.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.169 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.41 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 5.0 p -52.08 -27.27 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.981 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -53.01 -35.34 59.29 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.048 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.17 -28.34 62.7 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.153 0.501 . . . . 0.0 110.215 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 4.5 p -53.02 -36.81 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.404 ' HA ' ' NZ ' ' B' ' 30' ' ' LYS . 88.7 m-20 -65.19 -42.69 93.36 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.981 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -63.01 -41.19 99.5 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 19.6 m -73.84 -29.3 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.681 ' SD ' ' NZ ' ' B' ' 30' ' ' LYS . 16.5 ttt -54.59 -38.24 66.5 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.068 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -59.0 -40.03 83.64 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.538 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.25 -39.92 89.84 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 73.3 mt -67.57 -37.95 83.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.733 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.499 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 57.2 t0 -87.42 103.81 15.85 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.181 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.63 -34.71 76.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.257 0.551 . . . . 0.0 110.324 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -57.92 -38.9 76.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.374 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.05 5.63 80.91 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 107.811 -2.116 . . . . 0.0 107.811 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.7 p30 -63.35 -33.37 75.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.004 -1.098 . . . . 0.0 113.037 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.645 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.1 -1.81 63.18 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.413 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 96.3 mt-10 -109.84 153.73 24.02 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -106.96 132.95 53.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.561 0.696 . . . . 0.0 111.474 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 56.8 t0 -102.86 155.29 18.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.008 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.472 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 80.4 t80 -51.69 -41.71 61.63 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.083 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -58.72 -40.41 83.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.209 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -67.45 -38.45 84.49 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.657 0.741 . . . . 0.0 109.896 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -62.98 -44.7 95.32 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.05 -0.977 . . . . 0.0 113.197 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.409 HG12 ' N ' ' B' ' 76' ' ' VAL . 2.5 p -60.41 -39.74 81.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.767 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.409 ' N ' HG12 ' B' ' 75' ' ' VAL . 31.1 m -74.74 -33.43 31.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 120.186 -0.605 . . . . 0.0 109.381 178.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.446 ' O ' ' CD1' ' B' ' 81' ' ' LEU . 15.1 tp -57.52 -45.61 84.79 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.973 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 m -72.43 -32.6 42.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.832 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.64 -37.97 85.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.329 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.82 -44.75 84.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.122 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.446 ' CD1' ' O ' ' B' ' 77' ' ' LEU . 6.2 mp -65.64 -35.81 81.87 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 120.499 -0.481 . . . . 0.0 110.549 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 64.3 m -52.74 -38.23 60.57 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.442 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 87.0 t -60.94 -34.92 61.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.67 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.46 84.41 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.675 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 25.3 ttt -59.78 -39.11 83.79 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.536 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -57.85 -42.53 84.62 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.304 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.75 -41.53 97.8 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.455 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.31 -41.29 93.16 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.684 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.85 -39.5 65.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.961 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -54.5 -34.72 62.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.208 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -57.48 -33.29 67.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.501 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -103.22 136.8 42.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.48 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.518 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 p -69.58 162.23 28.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.697 0.284 . . . . 0.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.03 -36.9 80.75 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.446 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp -61.17 -42.58 98.81 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.946 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.41 -42.08 88.33 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.049 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.0 m -61.94 -43.33 99.07 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.096 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.26 -40.74 81.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.552 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.1 ttp -61.99 -42.02 98.67 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.64 -31.29 68.0 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 120.978 0.418 . . . . 0.0 110.217 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.0 m -56.16 -35.54 67.3 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.36 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.1 mt -59.21 -42.67 91.53 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.242 -0.983 . . . . 0.0 110.826 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.8 mt -65.66 -41.51 90.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.961 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -60.13 -41.23 92.22 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.433 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -74.72 -39.06 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 120.194 -0.603 . . . . 0.0 111.101 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -63.8 -50.83 67.42 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.568 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -64.31 -47.32 79.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.172 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.48 85.92 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 120.211 -0.595 . . . . 0.0 111.5 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.413 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 86.5 t60 -63.81 -48.19 77.82 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.497 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.8 t -61.07 -40.35 93.33 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.35 -39.2 97.52 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.669 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.73 -41.28 90.55 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -126.65 153.41 45.4 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.839 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.54 -162.64 33.26 Favored Glycine 0 C--N 1.332 0.321 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -71.66 136.31 47.25 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -61.1 -38.86 87.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.078 0.466 . . . . 0.0 110.841 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -67.57 -32.61 73.48 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -117.71 148.64 41.81 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -104.79 130.82 52.81 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.706 -1.134 . . . . 0.0 108.868 178.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.9 t -103.09 149.72 24.32 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.315 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -55.62 -36.76 67.33 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.145 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -55.58 -40.72 72.36 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.413 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 97.3 mt-10 -66.55 -38.84 87.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.6 -46.64 81.8 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -59.94 -47.09 87.2 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 119.299 -0.96 . . . . 0.0 111.524 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.6 -42.28 87.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.177 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.407 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 37.5 tp -65.46 -46.12 81.08 Favored 'General case' 0 CA--C 1.523 -0.094 0 C-N-CA 119.97 -0.692 . . . . 0.0 112.233 -178.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.554 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -70.01 -40.95 74.92 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.624 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' NE2' ' CB ' ' A' ' 47' ' ' ALA . 50.0 tt0 -64.12 -45.88 86.63 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 119.653 -0.819 . . . . 0.0 111.476 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.0 m -71.23 -43.63 66.94 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -74.57 -33.17 62.62 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.489 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.4 tp -100.39 142.7 31.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.194 0.521 . . . . 0.0 111.648 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.607 ' C ' ' H ' ' A' ' 44' ' ' PHE . 87.0 p -53.29 -23.91 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.567 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -45.43 -10.53 0.02 OUTLIER Glycine 0 CA--C 1.523 0.583 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 178.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.607 ' H ' ' C ' ' A' ' 42' ' ' SER . 55.3 t80 -46.48 -39.1 10.15 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.8 -31.52 70.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.281 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.567 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 33.1 p30 -81.49 12.25 3.89 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.045 0.45 . . . . 0.0 110.426 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -57.51 -23.04 47.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.509 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.501 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.8 mt-30 -55.37 -151.9 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -56.06 -28.13 56.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.013 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.97 -34.84 63.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.038 0.446 . . . . 0.0 110.063 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.401 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 5.9 p -52.96 -26.43 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.108 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -53.72 -35.29 61.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.864 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.01 -28.34 62.38 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.013 0.435 . . . . 0.0 110.156 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.401 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 4.4 p -52.89 -37.29 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -68.04 -39.42 83.08 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -65.89 -42.04 90.76 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.492 0.663 . . . . 0.0 111.865 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.99 -32.25 53.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.905 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.5 mmm -56.79 -36.13 69.51 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -58.21 -43.34 87.63 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.907 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.2 -38.12 84.82 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.36 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.443 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 81.5 mt -66.26 -37.03 84.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.049 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.474 ' OD1' ' OE1' ' A' ' 73' ' ' GLU . 98.5 m-20 -103.74 70.21 1.01 Allowed 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.96 -29.34 70.18 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -53.86 -36.73 62.93 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 114.072 -1.422 . . . . 0.0 109.916 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.03 1.03 73.39 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 108.417 -1.873 . . . . 0.0 108.417 -178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.69 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.1 p30 -62.86 -35.62 80.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.413 -0.894 . . . . 0.0 112.769 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.69 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 84.63 5.79 86.3 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -112.57 156.42 22.69 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.089 -0.555 . . . . 0.0 109.904 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.0 t -107.68 132.95 53.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.503 0.668 . . . . 0.0 111.606 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -102.65 158.57 16.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.292 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -52.79 -41.63 64.29 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.122 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.92 -40.84 81.39 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.232 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.474 ' OE1' ' OD1' ' A' ' 62' ' ' ASP . 94.3 mt-10 -67.46 -37.78 83.45 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.443 0.64 . . . . 0.0 110.313 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -63.53 -46.0 88.03 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 p -60.36 -39.58 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.138 0 C-N-CA 119.796 -0.762 . . . . 0.0 110.634 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 32.7 m -74.63 -32.97 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.485 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.9 tp -56.99 -45.36 83.01 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.248 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.54 -35.14 50.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.203 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.98 92.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.276 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.94 87.69 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.676 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.58 -36.31 83.83 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.706 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.0 m -52.97 -37.71 61.43 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.737 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.02 -35.59 62.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.432 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.75 94.31 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.393 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 47.3 ttp -57.98 -38.33 75.86 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.06 -40.13 84.22 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -59.71 -43.71 94.01 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.443 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -65.59 -34.95 79.43 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.119 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -54.03 -39.2 65.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.868 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -54.12 -34.42 60.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.203 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.03 -33.66 67.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.487 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -104.75 136.98 43.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.523 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.531 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -69.73 162.24 28.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.434 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.03 -36.94 80.86 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.393 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.17 -42.56 98.79 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.004 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.43 -41.95 88.43 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.081 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.5 m -62.09 -43.3 99.14 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.01 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.75 81.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.578 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.1 ttp -61.92 -42.04 98.64 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.59 -31.35 67.96 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 120.98 0.419 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.6 m -56.09 -35.47 67.05 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.412 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.3 mt -59.36 -42.62 92.0 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.233 -0.987 . . . . 0.0 110.766 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 73.8 mt -65.73 -41.42 90.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.962 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -60.1 -41.27 92.19 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.453 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.85 -39.03 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.999 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -63.65 -50.97 67.2 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.538 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -64.33 -47.27 80.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.106 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.36 86.01 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.551 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.413 ' CD2' ' HB2' ' B' ' 36' ' ' LEU . 86.5 t60 -63.82 -48.23 77.64 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.447 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.6 t -61.03 -40.38 93.38 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.901 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.36 -39.13 97.43 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.714 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.8 -41.22 90.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -126.71 153.49 45.39 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.852 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.43 -162.64 32.86 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.69 136.38 47.23 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -61.06 -38.86 87.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.178 0.514 . . . . 0.0 110.975 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -67.46 -32.68 73.7 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -117.75 148.53 41.95 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 tp -104.71 130.83 52.7 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.93 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.0 t -103.14 149.74 24.33 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.794 0.33 . . . . 0.0 110.34 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -55.56 -36.8 67.21 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 119.04 -1.064 . . . . 0.0 110.192 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -55.45 -40.72 71.93 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 119.105 -1.038 . . . . 0.0 108.284 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.405 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 97.3 mt-10 -66.53 -38.91 88.2 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 177.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.53 -46.61 82.14 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -59.98 -47.01 87.56 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 119.266 -0.974 . . . . 0.0 111.603 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.7 -42.21 86.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.174 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.413 ' HB2' ' CD2' ' B' ' 18' ' ' HIS . 37.3 tp -65.37 -46.21 81.07 Favored 'General case' 0 CA--C 1.522 -0.121 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.268 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -70.01 -40.95 74.95 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.059 -0.657 . . . . 0.0 111.664 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.504 ' NE2' ' CB ' ' B' ' 47' ' ' ALA . 50.1 tt0 -64.1 -45.86 86.75 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.485 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.8 m -71.18 -43.67 67.0 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -74.55 -33.17 62.65 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.482 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.4 tp -100.4 142.8 31.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.302 0.572 . . . . 0.0 111.581 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.618 ' C ' ' H ' ' B' ' 44' ' ' PHE . 86.9 p -53.33 -23.97 10.68 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.582 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -45.36 -10.61 0.02 OUTLIER Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.618 ' H ' ' C ' ' B' ' 42' ' ' SER . 55.3 t80 -46.52 -39.04 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.84 -31.45 70.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.309 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.582 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 33.2 p30 -81.51 12.19 3.96 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.009 0.433 . . . . 0.0 110.393 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.504 ' CB ' ' NE2' ' B' ' 38' ' ' GLN . . . -57.51 -22.96 47.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.504 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.504 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.8 mt-30 -55.38 -151.81 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.634 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -56.16 -28.17 57.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.967 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.01 -34.69 63.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.973 0.416 . . . . 0.0 110.103 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 5.9 p -53.07 -26.35 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.107 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -53.67 -35.34 60.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.601 0.239 . . . . 0.0 110.807 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.14 -28.22 62.54 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 120.936 0.398 . . . . 0.0 110.13 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 4.4 p -52.87 -37.37 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.402 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 87.6 m-20 -67.96 -39.47 83.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -65.97 -42.03 90.4 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.434 0.635 . . . . 0.0 111.82 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.93 -32.21 53.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.924 -178.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 95.4 mmm -56.94 -36.02 69.76 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -58.22 -43.3 87.65 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.902 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.25 -38.14 84.65 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.489 -0.485 . . . . 0.0 111.361 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.448 ' O ' ' CD ' ' B' ' 73' ' ' GLU . 81.5 mt -66.29 -36.94 84.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.058 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.469 ' OD1' ' OE1' ' B' ' 73' ' ' GLU . 98.5 m-20 -103.76 70.26 1.01 Allowed 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.1 -29.3 70.22 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -53.79 -36.81 62.84 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 114.041 -1.436 . . . . 0.0 109.955 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.09 1.09 73.14 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.687 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.2 p30 -62.93 -35.58 80.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.417 -0.892 . . . . 0.0 112.774 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.687 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 84.68 5.67 86.35 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 -178.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -112.57 156.38 22.76 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.07 -0.565 . . . . 0.0 109.927 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.0 t -107.72 133.02 53.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.548 0.69 . . . . 0.0 111.541 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -102.69 158.63 16.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.682 -1.145 . . . . 0.0 109.328 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -52.77 -41.67 64.28 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.074 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.92 -40.84 81.39 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.277 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.469 ' OE1' ' OD1' ' B' ' 62' ' ' ASP . 94.3 mt-10 -67.41 -37.79 83.61 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.486 0.66 . . . . 0.0 110.375 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -63.47 -45.94 88.47 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 p -60.43 -39.62 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 119.814 -0.755 . . . . 0.0 110.621 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 32.7 m -74.61 -32.94 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.543 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 13.0 tp -56.96 -45.44 82.84 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.279 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.45 -35.11 50.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.268 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.02 92.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.307 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.61 -44.04 87.76 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.658 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.9 mt -64.42 -36.4 84.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.733 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 57.1 m -52.92 -37.81 61.19 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.765 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.02 -35.59 62.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.411 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.85 94.36 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.369 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 47.3 ttp -58.01 -38.26 75.82 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.11 -40.11 84.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -59.78 -43.67 94.26 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.457 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -65.59 -34.95 79.43 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.136 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -54.02 -39.24 65.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.853 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -54.04 -34.46 60.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.23 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.03 -33.55 67.31 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.523 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -104.85 136.95 43.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.453 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 17.4 p . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.602 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.378 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 m -57.2 -37.03 71.57 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.369 -0.533 . . . . 0.0 110.202 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.54 -42.62 99.1 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.264 -0.575 . . . . 0.0 110.558 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.46 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 38.7 tp -64.07 -39.85 94.98 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.99 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.509 ' OE2' ' O ' ' B' ' 40' ' ' GLU . 97.6 mt-10 -63.75 -39.37 94.12 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.036 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.2 m -64.76 -42.59 95.02 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.603 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.38 87.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.61 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.3 ttp -62.04 -41.11 97.77 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 120.547 -0.461 . . . . 0.0 112.054 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.77 -29.78 67.04 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.971 0.415 . . . . 0.0 109.998 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.3 m -54.59 -35.86 63.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.378 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.2 mt -59.08 -40.66 85.91 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 118.816 -1.154 . . . . 0.0 110.198 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.54 ' CG2' ' CE1' ' A' ' 16' ' ' HIS . 77.6 mt -63.87 -47.32 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.51 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.46 -41.68 97.6 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.542 -0.463 . . . . 0.0 112.219 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.439 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 19.8 m -71.93 -38.23 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.005 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -60.32 -47.49 85.79 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.836 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.54 ' CE1' ' CG2' ' A' ' 12' ' ' ILE . 57.5 m170 -61.76 -46.86 87.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.549 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.29 -47.67 75.82 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.159 -0.616 . . . . 0.0 112.022 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.439 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 89.9 m-70 -62.57 -47.52 83.49 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.696 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.9 p -65.19 -35.65 81.75 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.263 -0.575 . . . . 0.0 111.202 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.02 -38.41 95.99 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.901 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.48 -41.04 88.88 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -124.1 152.59 42.56 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.963 0.411 . . . . 0.0 111.423 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.29 -163.37 0.14 Allowed Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.6 136.95 47.62 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.378 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.521 ' HZ2' ' C ' ' A' ' 16' ' ' HIS . 41.6 tttp -59.65 -37.84 79.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.475 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -65.12 -27.46 68.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.365 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -112.9 143.35 44.33 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.737 0.779 . . . . 0.0 112.257 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -103.95 124.4 48.92 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 114.535 -1.211 . . . . 0.0 107.907 179.232 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.441 ' N ' HD12 ' A' ' 28' ' ' LEU . 86.4 p -104.64 154.57 19.79 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.903 0.383 . . . . 0.0 110.575 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -57.41 -37.6 73.0 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.51 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -55.92 -41.29 74.34 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 118.685 -1.206 . . . . 0.0 108.523 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.52 -38.44 87.21 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 120.126 -0.629 . . . . 0.0 109.716 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.491 ' CD2' ' SD ' ' A' ' 58' ' ' MET . 23.5 tp -65.44 -49.17 70.16 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -60.75 -46.81 89.02 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.279 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.88 -38.47 86.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.638 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.41 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 9.9 tt -64.78 -44.23 90.69 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.382 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.47 ' N ' HD22 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -69.02 -43.4 74.85 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.954 179.12 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -63.32 -45.44 91.28 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.673 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.9 m -70.34 -42.38 71.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.496 ' O ' ' OE2' ' B' ' 5' ' ' GLU . 98.3 mt-10 -74.74 -33.64 62.38 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.5 mt -97.52 147.11 24.6 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.596 ' C ' ' H ' ' A' ' 44' ' ' PHE . 25.0 m -54.91 -29.56 56.37 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 113.52 -1.673 . . . . 0.0 109.131 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 47' ' ' ALA . . . -45.15 -11.29 0.02 OUTLIER Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.596 ' H ' ' C ' ' A' ' 42' ' ' SER . 53.9 t80 -50.09 -42.81 50.9 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.185 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.2 tp -61.11 -40.6 94.36 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -102.17 8.4 40.63 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' A' ' 43' ' ' GLY . . . -60.66 -30.79 70.11 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.52 ' O ' ' O ' ' A' ' 47' ' ' ALA . 92.9 mt-30 -31.21 -101.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 55.6 pttt -58.36 -34.74 71.0 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.303 0.573 . . . . 0.0 110.648 -178.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.07 -32.49 54.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.968 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' A' ' 47' ' ' ALA . 5.4 p -52.49 -34.62 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.886 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 52.9 p30 -59.54 -33.85 71.91 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.074 -0.651 . . . . 0.0 110.836 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.662 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -58.03 -27.47 63.6 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.668 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 4.3 p -54.18 -36.85 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.551 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.422 ' N ' HG12 ' A' ' 54' ' ' VAL . 88.8 m-20 -65.53 -42.73 91.66 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.793 179.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.47 -40.4 97.01 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.8 m -72.4 -32.82 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -177.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.491 ' SD ' ' CD2' ' A' ' 33' ' ' LEU . 92.3 mmm -57.54 -38.29 74.48 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.101 -0.64 . . . . 0.0 112.335 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.33 -46.05 91.87 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.001 -0.68 . . . . 0.0 112.044 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -70.08 -42.26 72.99 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 61' ' ' LEU . 7.0 mp -69.1 -36.83 78.0 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.438 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 53.2 t0 -85.36 109.49 18.44 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.944 -178.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.71 -37.6 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.619 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 66' ' ' ASP . 38.3 p-10 -91.07 7.55 39.9 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' ASN . . . 36.84 26.64 0.01 OUTLIER Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.639 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 55.7 p30 -61.4 -32.2 72.13 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.639 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.56 -5.02 60.13 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.408 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 96.5 mt-10 -112.69 151.56 30.06 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.5 t -110.19 133.5 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.475 0.655 . . . . 0.0 110.8 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 56.9 t0 -98.76 152.93 19.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.977 -1.011 . . . . 0.0 108.801 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.447 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 76.3 t80 -50.98 -40.78 58.72 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.271 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.46 -41.03 84.28 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.941 -0.704 . . . . 0.0 110.14 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.27 -39.36 82.19 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.484 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.37 -45.33 91.66 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.8 p -60.04 -39.05 79.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.784 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.61 -32.89 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.797 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.6 tt -61.32 -41.32 96.82 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.366 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 m -72.28 -32.31 42.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.8 82.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.602 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.8 85.46 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.968 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.53 -35.43 80.22 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.715 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.0 m -53.04 -36.17 60.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.304 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.3 t -57.46 -36.89 54.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.085 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.25 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.075 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -56.04 -38.97 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.004 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -60.38 -42.71 96.42 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -63.45 -41.73 98.65 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.756 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -66.09 -35.47 80.61 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.596 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -53.51 -38.85 64.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.957 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.07 -35.11 61.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.439 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.51 -32.69 72.74 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.479 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -100.33 120.22 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.7 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.587 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.314 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -57.25 -36.97 71.63 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.211 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.63 -42.6 99.12 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.472 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.47 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 38.7 tp -64.12 -39.75 94.71 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 120.334 -0.547 . . . . 0.0 109.978 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.496 ' OE2' ' O ' ' A' ' 40' ' ' GLU . 97.6 mt-10 -63.83 -39.33 93.96 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.011 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.7 m -64.8 -42.54 94.95 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.641 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.94 -41.33 87.17 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.661 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 65.3 ttp -62.11 -41.1 97.88 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.616 -0.433 . . . . 0.0 112.014 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.79 -29.77 67.07 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.016 0.436 . . . . 0.0 110.041 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -54.56 -35.83 63.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.477 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.12 -40.57 85.82 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.233 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.536 ' CG2' ' CE1' ' B' ' 16' ' ' HIS . 77.6 mt -63.89 -47.43 90.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.499 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.43 -41.59 97.42 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.486 -0.486 . . . . 0.0 112.256 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.445 ' O ' ' CD2' ' B' ' 18' ' ' HIS . 19.8 m -71.91 -38.26 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 119.833 -0.747 . . . . 0.0 110.014 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.31 -47.48 85.86 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.859 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.536 ' CE1' ' CG2' ' B' ' 12' ' ' ILE . 57.8 m170 -61.77 -46.88 87.67 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.539 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.24 -47.67 75.96 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.096 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' B' ' 14' ' ' VAL . 89.9 m-70 -62.55 -47.61 83.11 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.65 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 85.9 p -65.16 -35.62 81.67 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.236 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.07 -38.24 95.71 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.975 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.59 -41.05 89.4 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -124.16 152.51 42.74 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.063 0.459 . . . . 0.0 111.416 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.27 -163.39 0.13 Allowed Glycine 0 CA--C 1.519 0.339 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.51 136.97 47.79 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.421 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.528 ' HZ2' ' C ' ' B' ' 16' ' ' HIS . 41.6 tttp -59.61 -37.83 79.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.293 0.568 . . . . 0.0 110.55 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -65.11 -27.46 68.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.343 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -112.96 143.37 44.36 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.684 0.754 . . . . 0.0 112.234 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.474 ' CD1' ' C ' ' B' ' 28' ' ' LEU . 1.0 OUTLIER -103.96 124.39 48.91 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 114.51 -1.223 . . . . 0.0 107.876 179.228 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.439 ' N ' HD12 ' B' ' 28' ' ' LEU . 86.1 p -104.57 154.55 19.79 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.959 0.409 . . . . 0.0 110.601 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -57.4 -37.65 73.05 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.486 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -55.82 -41.43 74.21 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 118.695 -1.202 . . . . 0.0 108.512 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.44 -38.43 87.39 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.717 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.49 ' CD2' ' SD ' ' B' ' 58' ' ' MET . 23.7 tp -65.48 -49.11 70.28 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -60.8 -46.81 89.06 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.263 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.85 -38.45 86.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.669 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.405 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 9.8 tt -64.75 -44.2 90.86 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.437 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.472 HD22 ' N ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -69.11 -43.42 74.51 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.863 179.174 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -63.33 -45.4 91.44 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.705 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.2 m -70.44 -42.37 71.62 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.509 ' O ' ' OE2' ' A' ' 5' ' ' GLU . 98.3 mt-10 -74.67 -33.76 62.55 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 62.4 mt -97.57 147.09 24.64 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -177.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.601 ' O ' ' N ' ' B' ' 44' ' ' PHE . 24.9 m -54.78 -29.7 54.84 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 113.448 -1.706 . . . . 0.0 109.095 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.615 ' O ' ' N ' ' B' ' 47' ' ' ALA . . . -45.14 -11.18 0.02 OUTLIER Glycine 0 CA--C 1.522 0.52 0 N-CA-C 109.974 -1.25 . . . . 0.0 109.974 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.601 ' N ' ' O ' ' B' ' 42' ' ' SER . 53.7 t80 -50.13 -42.9 51.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.01 -40.66 94.41 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.215 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -102.17 8.41 40.64 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.244 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.615 ' N ' ' O ' ' B' ' 43' ' ' GLY . . . -60.6 -30.84 70.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -177.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.513 ' O ' ' O ' ' B' ' 47' ' ' ALA . 92.9 mt-30 -31.05 -101.79 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 55.6 pttt -58.33 -34.78 71.0 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.334 0.588 . . . . 0.0 110.66 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.06 -32.47 54.7 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.975 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' B' ' 47' ' ' ALA . 5.4 p -52.48 -34.74 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.812 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.661 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 52.8 p30 -59.52 -33.84 71.88 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.804 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.661 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -58.04 -27.5 63.63 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 4.2 p -54.09 -36.88 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.549 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.408 ' N ' HG12 ' B' ' 54' ' ' VAL . 88.9 m-20 -65.61 -42.69 91.29 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 119.584 -0.846 . . . . 0.0 110.764 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.53 -40.36 96.81 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 m -72.42 -32.71 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.49 ' SD ' ' CD2' ' B' ' 33' ' ' LEU . 92.4 mmm -57.53 -38.39 74.61 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.328 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.33 -46.01 92.05 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.946 -0.702 . . . . 0.0 112.076 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -70.1 -42.3 72.88 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.428 HD11 ' N ' ' B' ' 61' ' ' LEU . 7.0 mp -68.96 -36.9 78.44 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.429 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 53.2 t0 -85.29 109.41 18.34 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.384 -0.926 . . . . 0.0 110.954 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.81 -37.43 86.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.638 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.555 ' O ' ' N ' ' B' ' 66' ' ' ASP . 38.4 p-10 -91.13 7.54 40.06 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' B' ' 64' ' ' ASN . . . 36.88 26.58 0.01 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.643 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 55.3 p30 -61.43 -32.18 72.14 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.643 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.62 -5.0 60.0 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -178.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.414 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 96.5 mt-10 -112.77 151.56 30.18 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.9 t -110.18 133.51 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.431 0.634 . . . . 0.0 110.766 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 56.8 t0 -98.77 152.87 19.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.827 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.449 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 76.8 t80 -50.95 -40.8 58.31 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.439 -0.904 . . . . 0.0 109.246 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.43 -41.09 84.29 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.09 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.19 -39.46 82.5 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.47 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.41 -45.2 92.09 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.7 p -60.08 -39.1 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.779 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.5 -32.98 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.35 -0.54 . . . . 0.0 109.808 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.6 tt -61.28 -41.29 96.7 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.485 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 m -72.21 -32.37 42.77 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 C-N-CA 120.214 -0.595 . . . . 0.0 111.095 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.82 -36.71 81.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.561 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.71 -45.75 85.22 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.895 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.47 -35.54 80.53 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.666 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 55.0 m -53.03 -36.07 60.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.387 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.0 t -57.42 -36.96 55.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.171 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.32 73.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -55.93 -39.01 71.06 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.964 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -60.32 -42.67 96.09 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.914 -0.714 . . . . 0.0 109.1 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -63.57 -41.61 98.38 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.771 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -66.11 -35.52 80.71 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.599 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -53.47 -38.8 63.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.05 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.11 -35.08 61.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.505 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.48 -32.7 72.72 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.482 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.31 120.18 39.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.555 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 34.8 t . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.528 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 40' ' ' GLU . 39.5 t -107.52 138.22 44.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.661 0.267 . . . . 0.0 110.673 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.86 -38.12 89.58 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.196 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.54 -41.85 97.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.784 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.93 -41.49 91.29 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.775 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -61.67 -43.5 98.75 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.79 -40.06 83.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.241 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 64.9 ttp -62.03 -43.38 98.96 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.59 -31.05 67.69 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 120.964 0.411 . . . . 0.0 110.138 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -55.79 -36.46 67.42 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.401 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.3 -41.85 97.67 Favored 'General case' 0 C--N 1.343 0.326 0 C-N-CA 118.813 -1.155 . . . . 0.0 110.547 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.6 mt -65.89 -43.59 92.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.147 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -61.03 -41.5 96.69 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.199 -0.601 . . . . 0.0 111.979 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 m -74.77 -39.05 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.965 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -64.18 -51.25 64.7 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.41 0.624 . . . . 0.0 110.528 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.475 ' NE2' ' CE ' ' A' ' 25' ' ' LYS . 81.7 t60 -64.03 -47.52 79.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.642 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.2 95.43 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.14 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.592 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 83.7 t60 -62.76 -46.27 88.81 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.701 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -60.32 -41.11 92.81 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.337 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.32 -39.79 98.22 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.734 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.1 -42.21 94.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.519 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -129.07 149.65 50.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.833 0.349 . . . . 0.0 111.634 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.54 -158.1 32.51 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -74.29 133.8 42.6 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' CE ' ' NE2' ' A' ' 16' ' ' HIS . 27.1 tttt -60.94 -40.48 93.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.23 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -66.24 -32.89 74.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.442 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -120.52 145.64 47.1 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -108.73 133.46 52.78 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.113 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -103.15 152.35 21.54 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HZ1' ' CG ' ' A' ' 58' ' ' MET . 46.8 tttp -56.1 -37.24 69.11 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 118.938 -1.105 . . . . 0.0 110.529 -178.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.37 -40.89 71.88 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 118.863 -1.135 . . . . 0.0 108.09 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.592 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 96.3 mt-10 -67.66 -39.05 84.56 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.81 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.3 tp -64.58 -45.07 88.58 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -59.68 -47.21 86.54 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 119.629 -0.828 . . . . 0.0 111.341 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -65.14 -41.37 94.84 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.418 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.409 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 24.9 tp -62.17 -55.62 26.86 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.0 tp -69.13 -41.73 76.95 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.743 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.504 ' NE2' ' CG2' ' A' ' 51' ' ' VAL . 94.0 mt-30 -64.33 -41.52 96.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.998 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.3 m -69.25 -43.66 73.52 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' B' ' 2' ' ' SER . 76.9 mm-40 -75.33 -32.24 60.86 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.53 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.3 tp -100.85 138.06 38.41 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.578 0.704 . . . . 0.0 112.393 -177.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.61 ' C ' ' H ' ' A' ' 44' ' ' PHE . 25.7 m -51.28 -27.99 10.79 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.283 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.53 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -43.91 -10.86 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.61 ' H ' ' C ' ' A' ' 42' ' ' SER . 66.6 t80 -47.33 -35.55 8.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.9 tp -53.77 -34.9 60.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.605 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.52 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 43.1 p30 -79.26 11.19 3.02 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.96 0.409 . . . . 0.0 110.244 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -58.68 -23.45 59.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.524 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.503 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.7 mt-30 -54.35 -155.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.812 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -56.67 -28.52 60.87 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.92 -33.99 62.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.198 0.523 . . . . 0.0 109.782 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.504 ' CG2' ' NE2' ' A' ' 38' ' ' GLN . 5.9 p -52.47 -28.64 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.352 -179.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -53.4 -35.21 60.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.836 0.35 . . . . 0.0 110.692 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.69 -27.95 59.9 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.062 0.458 . . . . 0.0 110.232 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 p -52.41 -37.9 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -65.62 -41.45 92.69 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.571 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -62.56 -39.67 94.39 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.3 m -71.03 -30.45 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 120.184 -0.606 . . . . 0.0 112.572 -178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.529 ' CG ' ' HZ1' ' A' ' 30' ' ' LYS . 95.1 mmm -56.43 -38.07 71.07 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.83 -43.27 98.48 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.664 -0.814 . . . . 0.0 111.543 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.06 -41.25 74.43 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.497 -0.481 . . . . 0.0 112.141 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.26 -36.55 81.81 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.512 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 50.3 t0 -84.61 103.84 14.08 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.819 -0.752 . . . . 0.0 111.194 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.69 -37.41 84.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.499 0.666 . . . . 0.0 109.629 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -58.75 -37.76 76.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.9 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.25 5.15 87.35 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 107.819 -2.112 . . . . 0.0 107.819 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.642 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 49.2 p30 -63.85 -32.94 74.63 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 114.127 -1.036 . . . . 0.0 112.502 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.642 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.88 -2.01 61.64 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 68' ' ' GLU . 59.0 mp0 -109.55 154.36 22.83 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -106.29 132.92 52.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.689 0.757 . . . . 0.0 112.164 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -102.24 160.64 14.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.299 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -52.39 -43.29 64.67 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.085 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.81 -41.48 91.34 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.221 -0.591 . . . . 0.0 110.385 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.12 -37.58 86.07 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.124 0.488 . . . . 0.0 110.547 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -63.27 -42.88 99.16 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 121.524 0.678 . . . . 0.0 111.394 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.328 -179.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.9 m -72.09 -33.11 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.795 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.19 -42.72 99.09 Favored 'General case' 0 CA--C 1.527 0.078 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.458 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.9 m -72.41 -31.14 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.373 0.606 . . . . 0.0 111.355 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.59 86.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.217 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.41 96.65 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.669 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.4 -36.55 84.3 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.382 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.2 m -53.11 -37.59 61.88 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.38 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.53 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 75.0 t -59.9 -36.24 65.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.603 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.83 72.94 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 ttp -56.82 -38.22 72.3 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 119.468 -0.893 . . . . 0.0 110.566 -178.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.69 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 31.4 p-10 -63.61 -40.04 95.9 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 118.975 -1.09 . . . . 0.0 110.252 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.69 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 20.6 t-20 -62.86 -45.5 92.29 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.021 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.95 -48.99 66.87 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.824 0.821 . . . . 0.0 110.846 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -55.69 -38.51 69.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.027 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -53.86 -33.67 57.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.708 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.21 -33.42 67.49 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.449 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -100.44 120.35 39.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.504 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.534 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 39.2 t -107.49 138.21 44.11 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.711 0.291 . . . . 0.0 110.698 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.97 -38.06 89.6 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.167 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.57 -41.81 97.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.709 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.94 -41.61 91.09 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.743 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -61.64 -43.4 98.94 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.88 -40.06 83.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.227 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 64.9 ttp -62.0 -43.38 98.96 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.55 -31.05 67.61 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 120.96 0.409 . . . . 0.0 110.178 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 34.8 m -55.9 -36.4 67.64 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.388 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.23 -41.99 97.83 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 118.877 -1.129 . . . . 0.0 110.498 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.423 HG21 HD13 ' B' ' 12' ' ' ILE . 76.5 mt -65.73 -43.65 93.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.195 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -61.04 -41.6 96.89 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.87 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.7 m -74.78 -39.08 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.405 ' CE1' HD12 ' B' ' 28' ' ' LEU . 69.2 t80 -64.14 -51.18 65.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.367 0.604 . . . . 0.0 110.56 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.476 ' NE2' ' CE ' ' B' ' 25' ' ' LYS . 81.7 t60 -64.06 -47.51 79.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.615 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.29 -43.22 95.43 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.104 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.588 ' NE2' ' O ' ' B' ' 32' ' ' GLU . 83.8 t60 -62.83 -46.35 88.35 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.634 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -60.25 -41.06 92.38 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.387 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.38 -39.82 98.21 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.714 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.97 -42.26 93.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.523 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -129.11 149.59 50.86 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.642 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.63 -158.06 32.96 Favored Glycine 0 CA--C 1.518 0.276 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 178.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -74.35 133.84 42.52 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.476 ' CE ' ' NE2' ' B' ' 16' ' ' HIS . 27.2 tttt -60.97 -40.47 93.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.172 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -66.14 -33.04 74.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.453 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -120.43 145.68 46.98 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.584 0.707 . . . . 0.0 112.718 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.405 HD12 ' CE1' ' B' ' 15' ' ' PHE . 8.5 tt -108.73 133.45 52.79 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.137 178.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -103.21 152.31 21.62 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.53 ' HZ1' ' CG ' ' B' ' 58' ' ' MET . 46.8 tttp -56.17 -37.2 69.24 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 118.916 -1.114 . . . . 0.0 110.423 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.36 -40.92 71.87 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 118.844 -1.143 . . . . 0.0 108.088 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.588 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 96.3 mt-10 -67.53 -39.15 85.07 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.823 177.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 37.4 tp -64.61 -45.0 88.77 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -59.68 -47.3 86.18 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.346 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -65.02 -41.43 95.31 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.441 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.412 ' HB2' ' CD2' ' B' ' 18' ' ' HIS . 25.1 tp -62.12 -55.67 26.48 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 33.8 tp -69.12 -41.67 77.08 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.788 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.504 ' NE2' ' CG2' ' B' ' 51' ' ' VAL . 94.0 mt-30 -64.3 -41.58 96.79 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.983 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.1 m -69.33 -43.47 73.65 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 2' ' ' SER . 77.0 mm-40 -75.41 -32.21 60.67 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -178.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.531 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.3 tp -100.84 138.12 38.32 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.575 0.703 . . . . 0.0 112.361 -177.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.613 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.4 m -51.31 -28.0 10.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.32 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.531 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -43.85 -10.89 0.01 OUTLIER Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.613 ' N ' ' O ' ' B' ' 42' ' ' SER . 66.5 t80 -47.35 -35.53 8.26 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -53.74 -34.98 60.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.601 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.513 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 42.9 p30 -79.23 11.22 2.98 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.012 0.434 . . . . 0.0 110.279 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -58.66 -23.44 59.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.584 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.494 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.7 mt-30 -54.33 -155.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.791 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -56.73 -28.53 61.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.879 -179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.93 -34.03 62.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.14 0.495 . . . . 0.0 109.751 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.504 ' CG2' ' NE2' ' B' ' 38' ' ' GLN . 5.9 p -52.35 -28.69 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.4 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -53.4 -35.26 60.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.762 0.315 . . . . 0.0 110.682 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.65 -27.92 59.53 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.108 0.48 . . . . 0.0 110.266 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 p -52.51 -37.81 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -65.63 -41.49 92.6 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.529 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -62.47 -39.69 94.25 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 16.1 m -71.04 -30.49 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.53 ' CG ' ' HZ1' ' B' ' 30' ' ' LYS . 95.2 mmm -56.33 -38.09 70.85 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.97 -43.17 99.17 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.502 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.99 -41.2 74.7 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.549 -0.46 . . . . 0.0 112.203 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.36 -36.57 81.67 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.518 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 50.2 t0 -84.52 103.8 13.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.802 -0.759 . . . . 0.0 111.247 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.67 -37.44 84.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.443 0.64 . . . . 0.0 109.639 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -58.68 -37.77 76.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.965 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.28 5.18 87.42 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 107.772 -2.131 . . . . 0.0 107.772 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.644 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 49.1 p30 -63.85 -33.0 74.72 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.124 -1.038 . . . . 0.0 112.459 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.644 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.83 -1.95 61.71 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.417 ' N ' ' OE1' ' B' ' 68' ' ' GLU . 59.0 mp0 -109.49 154.42 22.7 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -106.39 132.92 52.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.717 0.77 . . . . 0.0 112.094 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -102.25 160.67 14.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.287 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -52.4 -43.3 64.69 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.045 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.73 -41.58 91.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.36 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -66.12 -37.53 85.95 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.589 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -63.21 -42.99 99.38 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.423 0.63 . . . . 0.0 111.398 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.348 -179.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 24.4 m -72.05 -33.21 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.817 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.14 -42.76 99.13 Favored 'General case' 0 CA--C 1.526 0.04 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.52 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 22.7 m -72.36 -31.15 37.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.397 0.618 . . . . 0.0 111.42 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.21 -40.59 86.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.155 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.43 96.47 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.561 -0.855 . . . . 0.0 110.585 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.36 -36.59 84.48 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.394 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 43.8 m -53.03 -37.65 61.73 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.364 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.528 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 75.5 t -59.93 -36.22 65.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.566 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.9 -31.8 72.94 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 2.6 ttp -56.84 -38.13 72.23 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 119.47 -0.892 . . . . 0.0 110.582 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.688 ' OD1' ' N ' ' B' ' 87' ' ' ASN . 31.6 p-10 -63.72 -39.99 95.67 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.078 -1.049 . . . . 0.0 110.205 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.688 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 20.5 t-20 -62.9 -45.55 91.99 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.96 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -66.81 -49.08 66.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.859 0.838 . . . . 0.0 110.919 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -55.64 -38.45 69.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.121 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -53.86 -33.75 57.32 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.722 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.14 -33.39 67.35 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.426 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -100.58 120.41 40.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.487 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 m -62.67 155.57 25.94 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.937 0.398 . . . . 0.0 110.446 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.95 -35.85 75.84 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.075 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.403 ' CD1' ' CD2' ' B' ' 11' ' ' LEU . 39.5 tp -62.77 -41.78 99.39 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 119.996 -0.681 . . . . 0.0 110.013 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.01 -41.49 98.13 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.6 m -64.38 -38.85 92.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.277 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.525 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -63.9 -43.51 95.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.635 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.6 ptp -62.65 -38.87 91.98 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.393 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -56.93 -32.64 66.17 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.941 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.525 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 64.4 p -63.71 -31.89 73.21 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.504 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.3 mt -63.44 -42.33 98.68 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.948 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -64.81 -48.04 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.05 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -60.25 -43.24 96.28 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.455 ' C ' ' HD1' ' A' ' 18' ' ' HIS . 13.7 m -72.39 -37.37 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.78 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -61.85 -53.16 59.67 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.6 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -64.29 -46.45 83.59 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -50.81 63.31 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 119.674 -0.811 . . . . 0.0 112.129 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.464 ' CG ' ' CD1' ' A' ' 36' ' ' LEU . 74.3 m80 -65.06 -49.24 70.85 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.153 -0.619 . . . . 0.0 112.103 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.9 p -65.91 -33.76 76.57 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.09 -38.04 94.87 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.767 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.61 -40.53 83.54 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -124.77 149.36 47.42 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.78 -167.77 44.72 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.2 138.72 45.81 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -60.44 -38.38 83.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.151 0.501 . . . . 0.0 110.524 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -66.84 -32.44 73.71 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -117.21 145.99 43.54 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -106.04 129.62 54.12 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.8 m -104.59 157.04 17.44 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.167 0.508 . . . . 0.0 111.985 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HZ2' HG13 ' A' ' 54' ' ' VAL . 7.5 tptp -54.55 -41.8 70.22 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.598 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.86 -40.87 90.08 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.198 -1.001 . . . . 0.0 109.705 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.84 -39.15 93.11 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.229 0.538 . . . . 0.0 109.947 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' CD2' ' SD ' ' A' ' 58' ' ' MET . 24.1 tp -63.47 -42.77 98.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.741 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -61.13 -45.41 94.8 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.143 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.86 -41.64 86.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.945 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CD1' ' CG ' ' A' ' 18' ' ' HIS . 52.3 tp -65.86 -49.1 69.33 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 119.956 -0.698 . . . . 0.0 112.425 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.564 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 2.5 mm? -69.95 -41.08 75.03 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 119.714 -0.794 . . . . 0.0 112.018 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.448 HE21 ' HA ' ' A' ' 44' ' ' PHE . 44.3 tp60 -63.64 -43.15 97.62 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.749 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.72 -42.73 73.61 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.84 -31.98 63.46 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.3 mt -94.1 146.81 23.7 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 122.346 1.069 . . . . 0.0 113.83 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.553 ' C ' ' H ' ' A' ' 44' ' ' PHE . 87.1 p -57.88 -25.4 60.71 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 113.778 -1.556 . . . . 0.0 109.228 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 47' ' ' ALA . . . -46.92 -13.1 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.553 ' H ' ' C ' ' A' ' 42' ' ' SER . 63.1 t80 -51.32 -44.36 61.95 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.01 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.9 tp -63.34 -39.11 93.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.113 0.482 . . . . 0.0 110.907 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -98.32 15.79 23.53 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.412 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.597 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -55.05 -30.63 60.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -177.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.597 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.5 mt-30 -32.65 -111.13 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -178.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -57.66 -31.49 66.37 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.921 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -53.25 -33.83 54.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.026 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 7.3 p -52.44 -36.76 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.451 -179.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -57.13 -36.89 71.24 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.085 0.469 . . . . 0.0 110.687 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.99 -28.11 64.1 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.171 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 3.6 p -54.82 -36.76 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 C-N-CA 119.357 -0.937 . . . . 0.0 109.073 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.428 ' N ' HG11 ' A' ' 54' ' ' VAL . 87.8 m-20 -65.63 -42.66 91.23 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.927 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.48 -40.81 98.09 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 m -72.7 -34.11 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.453 ' SD ' ' CD2' ' A' ' 33' ' ' LEU . 94.2 mmm -59.7 -37.82 79.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -179.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -60.3 -43.47 96.29 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.944 -0.703 . . . . 0.0 112.27 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.64 -41.23 75.87 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.142 -0.623 . . . . 0.0 112.111 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.92 -37.52 81.76 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.501 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 52.1 t0 -85.14 100.16 11.55 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.479 -0.888 . . . . 0.0 110.941 -179.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -68.54 -35.96 78.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.33 0.586 . . . . 0.0 109.979 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -59.15 -38.59 80.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.784 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.06 3.43 90.58 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 107.906 -2.078 . . . . 0.0 107.906 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.7 p30 -63.46 -33.82 76.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 114.181 -1.009 . . . . 0.0 112.729 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.653 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.91 -0.63 64.72 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.97 149.9 28.54 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.4 t -112.99 132.62 61.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.218 0.532 . . . . 0.0 111.065 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 47.5 p30 -106.15 171.03 7.57 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -53.86 -42.14 68.23 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.841 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -59.15 -42.39 90.58 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.842 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -68.57 -38.08 80.42 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.476 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -63.25 -44.41 95.28 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.403 HG11 ' N ' ' A' ' 76' ' ' VAL . 3.2 p -59.89 -39.22 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.07 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.858 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.403 ' N ' HG11 ' A' ' 75' ' ' VAL . 31.9 m -76.42 -33.18 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.889 178.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.11 -42.32 94.48 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.468 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.5 m -73.34 -32.23 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.04 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.71 94.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.735 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.22 92.96 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.245 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.95 -36.8 85.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.554 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.6 m -54.61 -36.82 64.87 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.111 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.84 -35.09 54.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.045 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.26 80.39 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.503 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.2 ttt -60.0 -39.44 85.79 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.378 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -58.23 -42.07 85.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.1 -41.84 97.4 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.375 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.8 -41.59 95.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.463 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -53.81 -39.4 65.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.062 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -54.42 -34.7 61.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.076 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.63 -33.21 68.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.507 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -99.68 120.51 39.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.524 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.602 179.896 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.4 m -62.69 155.63 25.85 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 120.899 0.381 . . . . 0.0 110.503 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.94 -35.93 75.99 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.041 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 39.5 tp -62.77 -41.74 99.37 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.049 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.99 -41.54 98.15 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.5 m -64.37 -38.97 92.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.267 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.528 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -63.8 -43.36 96.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.643 -178.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 11.4 ptp -62.82 -38.84 92.32 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.316 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.03 -32.55 66.29 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.95 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.528 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 66.5 p -63.72 -31.87 73.17 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.551 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.403 ' CD2' ' CD1' ' A' ' 4' ' ' LEU . 52.0 mt -63.38 -42.35 98.83 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.963 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.42 HD11 HG21 ' B' ' 12' ' ' ILE . 81.7 mt -64.94 -47.93 86.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.065 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -60.28 -43.23 96.41 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.458 ' C ' ' HD1' ' B' ' 18' ' ' HIS . 13.7 m -72.47 -37.3 56.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.754 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -61.89 -53.15 59.81 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.566 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -64.27 -46.55 83.21 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.73 -50.84 63.36 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 119.742 -0.783 . . . . 0.0 111.991 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.461 ' CG ' ' CD1' ' B' ' 36' ' ' LEU . 74.3 m80 -65.05 -49.21 70.98 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.143 -0.623 . . . . 0.0 112.167 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 85.8 p -65.93 -33.7 76.42 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.19 -37.98 94.67 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.719 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.5 -40.83 83.89 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.894 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -124.6 149.35 47.14 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.009 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.68 -167.78 44.34 Favored Glycine 0 CA--C 1.518 0.279 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.1 138.71 45.98 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -60.45 -38.39 84.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.136 0.493 . . . . 0.0 110.52 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -66.92 -32.28 73.43 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -117.41 146.1 43.67 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -106.11 129.58 54.17 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.6 m -104.53 157.03 17.45 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.261 0.553 . . . . 0.0 111.92 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.406 ' HZ2' HG13 ' B' ' 54' ' ' VAL . 7.5 tptp -54.61 -41.75 70.33 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.627 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.97 -40.77 90.2 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.697 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.76 -39.19 93.21 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.287 0.565 . . . . 0.0 109.999 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.456 ' CD2' ' SD ' ' B' ' 58' ' ' MET . 24.1 tp -63.47 -42.68 98.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.806 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -61.14 -45.47 94.53 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.116 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.83 -41.59 87.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.013 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.461 ' CD1' ' CG ' ' B' ' 18' ' ' HIS . 52.2 tp -65.91 -49.13 69.09 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 119.963 -0.695 . . . . 0.0 112.447 -178.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 2.5 mm? -69.91 -41.08 75.15 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 119.758 -0.777 . . . . 0.0 112.043 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.445 HE21 ' HA ' ' B' ' 44' ' ' PHE . 44.4 tp60 -63.68 -43.1 97.64 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.708 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.2 m -69.73 -42.82 73.47 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.78 -32.1 63.61 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 68.6 mt -93.94 146.91 23.58 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 122.43 1.11 . . . . 0.0 113.79 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.553 ' C ' ' H ' ' B' ' 44' ' ' PHE . 87.0 p -57.93 -25.51 61.01 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 113.84 -1.527 . . . . 0.0 109.246 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' B' ' 47' ' ' ALA . . . -46.84 -13.05 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.553 ' H ' ' C ' ' B' ' 42' ' ' SER . 63.3 t80 -51.32 -44.43 61.96 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 120.241 -0.584 . . . . 0.0 109.962 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 27.8 tp -63.32 -39.08 93.56 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.149 0.5 . . . . 0.0 110.938 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -98.29 15.76 23.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.401 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.598 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -55.1 -30.57 59.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.598 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.6 mt-30 -32.74 -111.09 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -57.63 -31.5 66.33 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.952 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -53.37 -33.74 54.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.0 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.441 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 7.2 p -52.54 -36.71 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.414 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -57.12 -36.87 71.18 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.751 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.11 -27.91 64.14 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.176 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.441 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 3.6 p -54.91 -36.78 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 C-N-CA 119.421 -0.911 . . . . 0.0 108.987 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.429 ' N ' HG11 ' B' ' 54' ' ' VAL . 88.0 m-20 -65.7 -42.63 90.96 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 119.874 -0.731 . . . . 0.0 110.936 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.53 -40.82 98.02 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 m -72.58 -34.09 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.456 ' SD ' ' CD2' ' B' ' 33' ' ' LEU . 94.3 mmm -59.63 -37.83 79.71 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -60.34 -43.44 96.44 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.27 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.64 -41.25 75.84 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.148 -0.621 . . . . 0.0 112.095 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.78 -37.73 82.44 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.512 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 52.0 t0 -85.04 100.18 11.51 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.987 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -68.56 -36.06 78.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.303 0.573 . . . . 0.0 109.938 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -59.0 -38.68 79.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.75 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.1 3.46 90.56 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.0 p30 -63.55 -33.8 76.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.194 -1.003 . . . . 0.0 112.654 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.645 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.92 -0.65 64.72 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.89 149.94 28.42 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -113.07 132.46 61.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.224 0.535 . . . . 0.0 111.049 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.439 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 47.5 p30 -106.05 170.99 7.58 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 177.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -53.8 -42.03 67.93 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.864 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.26 -42.41 91.08 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.764 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -68.52 -38.13 80.63 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.487 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -63.23 -44.46 95.19 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.405 HG11 ' N ' ' B' ' 76' ' ' VAL . 3.2 p -59.8 -39.22 79.26 Favored 'Isoleucine or valine' 0 C--O 1.23 0.071 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.934 -178.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.405 ' N ' HG11 ' B' ' 75' ' ' VAL . 31.3 m -76.36 -33.23 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.008 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.1 -42.27 94.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.478 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -73.35 -32.3 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.006 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.72 94.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.708 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.13 -43.08 93.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.271 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.5 mt -65.01 -36.81 85.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.502 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 47.0 m -54.69 -36.79 65.05 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.065 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.86 -35.08 54.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.031 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.33 80.31 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.503 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 25.2 ttt -60.05 -39.44 85.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.334 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -58.26 -42.08 85.65 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.324 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.02 -41.87 97.37 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.367 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -60.77 -41.62 95.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.47 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -53.8 -39.41 65.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.047 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -54.43 -34.67 61.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.083 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.65 -33.18 68.04 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -99.63 120.43 39.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.623 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.541 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.635 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.491 ' OG ' ' CG ' ' B' ' 40' ' ' GLU . 32.9 t -107.4 141.87 38.12 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.79 0.328 . . . . 0.0 110.592 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.69 -36.99 80.15 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.933 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.9 tp -61.23 -42.04 97.92 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.172 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.73 -42.19 91.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.526 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.5 m -63.26 -42.82 99.21 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.122 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.56 -39.87 84.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.06 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.8 ttp -61.05 -42.04 97.74 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.06 -31.27 66.89 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.07 0.462 . . . . 0.0 110.06 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -56.3 -35.83 67.96 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.843 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.6 mt -59.6 -42.37 92.41 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 118.997 -1.081 . . . . 0.0 111.159 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.1 mt -65.96 -46.35 88.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.228 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -61.65 -41.63 97.79 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.585 -0.446 . . . . 0.0 112.16 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.401 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 16.3 m -73.04 -38.5 55.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.364 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -60.84 -46.85 88.95 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.677 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.81 -48.0 78.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.994 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.19 -51.21 56.35 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.006 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.552 ' CD2' ' CD1' ' A' ' 36' ' ' LEU . 75.5 m80 -61.51 -46.37 90.26 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 t -61.49 -40.6 95.17 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.35 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.9 -36.26 93.06 Favored Glycine 0 CA--C 1.522 0.529 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.556 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.44 -41.68 85.62 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.492 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -129.66 144.74 51.42 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.608 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.54 -163.75 54.78 Favored Glycine 0 C--N 1.331 0.298 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.42 137.37 48.25 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -61.83 -38.82 89.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.071 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -66.41 -34.18 77.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.67 147.18 48.71 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -106.68 125.6 51.21 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.677 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.6 p -87.06 159.08 19.06 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.797 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.458 ' HZ2' ' CG2' ' A' ' 54' ' ' VAL . 27.9 tptp -57.81 -39.32 77.29 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.147 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -59.33 -42.03 90.5 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.476 -0.89 . . . . 0.0 109.818 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.492 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 98.0 mt-10 -65.65 -38.73 90.17 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 109.735 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.1 tp -62.82 -42.14 99.6 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.588 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.14 -43.22 99.23 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.451 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.65 -40.16 94.95 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.653 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.588 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 30.2 tp -62.69 -48.03 81.04 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.961 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.426 ' O ' ' CB ' ' A' ' 41' ' ' LEU . 59.9 mt -68.39 -36.9 79.82 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.922 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.57 -44.54 96.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.587 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.5 m -80.76 -53.62 6.34 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.588 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 49.5 mp0 -76.6 -27.47 55.78 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.656 ' CD1' ' H ' ' A' ' 43' ' ' GLY . 0.4 OUTLIER -88.85 125.45 34.93 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 119.486 -0.885 . . . . 0.0 110.565 -177.011 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.578 ' C ' ' H ' ' A' ' 44' ' ' PHE . 23.7 m -55.66 -32.77 63.51 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.858 -179.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.656 ' H ' ' CD1' ' A' ' 41' ' ' LEU . . . -45.24 -13.11 0.04 OUTLIER Glycine 0 CA--C 1.52 0.397 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.578 ' H ' ' C ' ' A' ' 42' ' ' SER . 78.5 t80 -50.16 -42.97 51.95 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.914 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.67 -36.95 82.33 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.557 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 58.8 t0 -104.58 13.83 30.96 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.875 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.598 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -58.47 -41.25 84.81 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.59 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.598 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.8 mt-30 28.39 -158.95 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.637 0.732 . . . . 0.0 112.329 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -58.18 -22.16 50.36 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.832 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -51.6 -32.76 29.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.048 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 48.0 t -52.06 -38.95 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 C-N-CA 119.819 -0.752 . . . . 0.0 110.336 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -54.67 -35.71 63.85 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.016 0.436 . . . . 0.0 110.639 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.15 -27.61 62.02 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.169 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.458 ' CG2' ' HZ2' ' A' ' 30' ' ' LYS . 5.0 p -52.1 -37.13 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -65.98 -43.35 88.1 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.107 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.52 -41.32 98.78 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.8 m -73.09 -29.59 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.338 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.9 ttt -54.9 -39.62 68.96 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.937 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.88 -42.45 93.79 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.42 -41.25 93.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.562 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.6 mt -66.99 -38.37 85.9 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.538 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 53.1 t0 -89.56 108.14 19.49 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.694 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.62 -34.64 77.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.26 0.552 . . . . 0.0 109.989 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -58.44 -39.45 79.87 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.294 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.48 6.75 84.68 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 108.241 -1.944 . . . . 0.0 108.241 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.658 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 48.8 p30 -63.31 -33.28 75.18 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 114.381 -0.91 . . . . 0.0 112.866 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.658 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.75 -3.64 62.98 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.43 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 95.9 mt-10 -114.77 155.64 26.33 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.16 153.54 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-O 121.679 0.752 . . . . 0.0 111.915 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 50.5 p30 -117.54 177.49 4.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.36 -1.291 . . . . 0.0 108.474 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -54.16 -42.65 69.82 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.949 -0.701 . . . . 0.0 110.771 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.58 -43.11 93.73 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 120.323 -0.551 . . . . 0.0 112.001 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -69.57 -37.68 77.09 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.697 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -62.24 -45.83 91.56 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 p -60.95 -39.77 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.021 -0.672 . . . . 0.0 111.42 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 m -76.43 -34.26 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 120.049 -0.661 . . . . 0.0 110.34 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.75 -41.89 98.27 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.779 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 m -73.12 -33.0 41.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.364 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.29 88.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.019 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.92 96.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.954 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.9 mt -64.29 -36.65 84.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.15 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.9 m -52.93 -37.68 61.11 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.483 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.3 t -59.92 -35.61 61.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.62 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.61 90.6 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.125 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.0 ttp -60.34 -39.0 85.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.033 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -58.55 -42.28 87.49 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.345 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -60.98 -41.63 96.78 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.424 178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -60.77 -41.58 95.79 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.286 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.73 -39.83 65.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.97 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -54.69 -34.71 62.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.199 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.86 -33.25 68.47 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.546 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -103.61 137.17 42.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.568 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.481 ' OG ' ' CG ' ' A' ' 40' ' ' GLU . 32.9 t -107.45 141.87 38.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.572 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.72 -36.93 80.08 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 42.1 tp -61.22 -42.11 98.04 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.095 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.63 -42.24 91.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.599 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.1 m -63.23 -42.86 99.29 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.085 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.52 -39.86 85.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.056 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.8 ttp -61.14 -42.0 97.76 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.02 -31.24 66.79 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.098 0.475 . . . . 0.0 110.145 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.4 m -56.31 -35.9 68.07 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.771 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.2 mt -59.5 -42.41 92.12 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 119.031 -1.068 . . . . 0.0 111.248 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.9 -46.44 88.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.207 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -61.63 -41.59 97.7 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.541 -0.464 . . . . 0.0 112.193 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.4 m -73.06 -38.47 55.54 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.363 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.8 -46.83 88.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.696 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.92 -47.95 78.52 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.015 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.11 -51.23 56.66 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.226 -0.59 . . . . 0.0 112.094 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.547 ' CD2' ' CD1' ' B' ' 36' ' ' LEU . 75.5 m80 -61.43 -46.43 90.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.124 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.4 t -61.49 -40.65 95.32 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.353 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.82 -36.26 93.08 Favored Glycine 0 CA--C 1.521 0.431 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.583 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.54 -41.69 86.09 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.491 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -129.64 144.77 51.43 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.493 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.61 -163.73 54.76 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.46 137.29 48.12 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -61.76 -38.88 89.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.042 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -66.37 -34.17 77.36 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.66 147.06 48.77 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -177.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 tp -106.57 125.67 51.3 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 114.661 -1.154 . . . . 0.0 108.655 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 54.7 p -87.13 159.13 19.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.221 -0.592 . . . . 0.0 109.706 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.467 ' HZ2' ' CG2' ' B' ' 54' ' ' VAL . 27.9 tptp -57.9 -39.22 77.38 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.144 -0.623 . . . . 0.0 111.156 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -59.34 -42.08 90.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 119.428 -0.909 . . . . 0.0 109.838 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.491 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 98.0 mt-10 -65.65 -38.6 89.81 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.08 0.467 . . . . 0.0 109.782 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.88 -42.2 99.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.573 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.1 -43.17 99.29 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.505 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.63 -40.06 94.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.782 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.599 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 30.3 tp -62.83 -47.96 81.12 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.98 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 60.4 mt -68.43 -36.87 79.69 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.868 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.53 -44.65 95.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.545 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 56.0 m -80.63 -53.71 6.3 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.599 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 49.6 mp0 -76.43 -27.56 56.29 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -177.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.643 ' CD1' ' H ' ' B' ' 43' ' ' GLY . 0.4 OUTLIER -88.84 125.47 34.93 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.648 -177.01 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.584 ' C ' ' H ' ' B' ' 44' ' ' PHE . 23.9 m -55.75 -32.67 63.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.813 -179.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.643 ' H ' ' CD1' ' B' ' 41' ' ' LEU . . . -45.27 -13.12 0.04 OUTLIER Glycine 0 CA--C 1.52 0.366 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.584 ' H ' ' C ' ' B' ' 42' ' ' SER . 78.6 t80 -50.16 -42.92 51.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.95 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.2 mt -61.67 -36.9 82.18 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.57 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.481 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 58.9 t0 -104.67 13.76 30.95 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.817 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.594 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -58.43 -41.29 84.72 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.576 -177.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.594 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.9 mt-30 28.48 -158.95 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.645 0.736 . . . . 0.0 112.271 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -58.18 -22.17 50.5 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.847 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -51.68 -32.62 30.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.167 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 48.2 t -52.07 -38.92 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.346 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -54.76 -35.66 64.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.43 . . . . 0.0 110.634 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.07 -27.7 61.95 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.158 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.467 ' CG2' ' HZ2' ' B' ' 30' ' ' LYS . 5.0 p -52.13 -37.06 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.246 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -66.03 -43.32 87.93 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.114 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.55 -41.3 98.81 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 19.9 m -73.09 -29.58 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.319 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 21.8 ttt -54.82 -39.62 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.043 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -59.91 -42.52 94.05 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.257 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.39 -41.2 93.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.604 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 74.7 mt -66.97 -38.33 85.88 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.539 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 53.1 t0 -89.58 108.09 19.46 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.68 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.51 -34.73 77.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.248 0.547 . . . . 0.0 110.02 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -58.39 -39.35 79.42 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.359 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.31 6.81 84.29 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 108.264 -1.934 . . . . 0.0 108.264 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.648 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 48.7 p30 -63.3 -33.23 75.06 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.365 -0.917 . . . . 0.0 112.896 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.648 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.74 -3.7 63.05 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -178.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 95.9 mt-10 -114.77 155.57 26.46 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.2 m -125.1 153.54 32.46 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-O 121.692 0.758 . . . . 0.0 111.963 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.43 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 50.6 p30 -117.57 177.48 4.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.419 -1.264 . . . . 0.0 108.471 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -54.05 -42.73 69.54 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.746 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.62 -43.18 93.89 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 120.242 -0.583 . . . . 0.0 112.009 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -69.51 -37.61 77.23 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.906 -0.717 . . . . 0.0 110.71 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -62.26 -45.91 91.18 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 p -60.85 -39.78 83.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.099 -0.641 . . . . 0.0 111.399 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 m -76.52 -34.22 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.345 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.73 -41.93 98.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 13.1 m -73.07 -33.03 41.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 C-N-CA 119.787 -0.765 . . . . 0.0 110.392 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.25 87.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.048 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.0 96.26 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.872 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.2 mt -64.27 -36.63 84.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.189 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 62.0 m -52.92 -37.66 61.04 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.494 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.9 -35.67 62.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.638 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.64 90.82 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.192 -0.603 . . . . 0.0 111.062 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.1 ttp -60.31 -39.04 85.59 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.996 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -58.33 -42.3 86.5 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.483 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -61.07 -41.58 96.9 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.345 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.75 -41.63 95.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.236 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.8 -39.75 65.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.974 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.69 -34.66 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.278 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.86 -33.32 68.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.535 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -103.58 137.11 42.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.505 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.583 179.94 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.595 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.507 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 57.1 p -69.79 161.63 29.44 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.521 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.18 -38.65 77.09 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.839 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp -61.95 -41.63 98.2 Favored 'General case' 0 C--O 1.243 0.725 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.58 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.01 -40.81 96.94 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.431 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -64.57 -40.16 95.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.722 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.25 93.29 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.491 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.4 ptp -62.4 -39.75 94.27 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 119.222 -0.991 . . . . 0.0 111.046 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -57.02 -31.61 65.3 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.095 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.6 m -55.77 -38.13 69.45 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.196 -0.601 . . . . 0.0 109.886 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.01 -40.34 97.48 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.373 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.566 ' CG2' ' CE1' ' A' ' 16' ' ' HIS . 76.6 mt -64.17 -46.15 94.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.375 -179.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -60.78 -41.55 95.78 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.39 -0.524 . . . . 0.0 112.001 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -72.43 -39.02 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.332 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -61.32 -47.05 87.7 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.641 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.566 ' CE1' ' CG2' ' A' ' 12' ' ' ILE . 62.7 m170 -61.6 -45.68 93.05 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.914 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.3 -50.38 65.92 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.986 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.46 ' CD2' ' CD1' ' A' ' 36' ' ' LEU . 92.4 m-70 -62.54 -46.54 87.93 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.141 -0.624 . . . . 0.0 111.541 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t -61.35 -41.99 97.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.015 0.436 . . . . 0.0 111.359 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.575 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . . . -63.58 -39.57 97.75 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.46 -0.791 . . . . 0.0 113.596 -178.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -59.99 -43.4 95.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.439 ' O ' ' CD ' ' A' ' 32' ' ' GLU . 94.9 mt-10 -131.91 150.79 52.05 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.722 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.04 -165.84 53.65 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.78 137.16 49.35 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' NZ ' ' O ' ' A' ' 20' ' ' GLY . 68.3 mmtt -61.14 -39.44 90.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.096 0.474 . . . . 0.0 110.326 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -67.5 -34.8 77.87 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.584 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 34.2 mtpt -123.0 153.17 40.15 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.582 0.706 . . . . 0.0 112.896 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.3 tp -98.47 125.48 43.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.1 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.3 p -83.53 156.45 22.8 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.961 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -59.19 -36.91 76.19 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 119.128 -1.029 . . . . 0.0 109.806 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -55.65 -41.94 74.32 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 119.297 -0.961 . . . . 0.0 108.588 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' CD ' ' O ' ' A' ' 22' ' ' GLU . 48.7 mt-10 -67.74 -38.57 83.7 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.065 177.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.7 tp -64.43 -46.71 82.02 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -60.42 -44.02 96.16 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.963 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.39 -38.86 91.23 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.214 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.46 ' CD1' ' CD2' ' A' ' 18' ' ' HIS . 36.1 tp -64.43 -43.78 93.27 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.425 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.453 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -68.25 -42.8 79.11 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.586 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -64.84 -42.23 95.07 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.647 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.47 -42.77 74.41 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.2 mm-40 -75.09 -33.82 61.69 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.604 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -95.76 142.84 27.56 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -178.352 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.61 ' C ' ' H ' ' A' ' 44' ' ' PHE . 24.8 m -55.66 -28.92 58.11 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.027 177.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -44.75 -10.23 0.01 OUTLIER Glycine 0 CA--C 1.522 0.505 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.419 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.61 ' H ' ' C ' ' A' ' 42' ' ' SER . 65.5 t80 -49.32 -41.04 37.33 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.5 tp -58.41 -36.42 73.55 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 43' ' ' GLY . 89.1 m-20 -86.65 13.25 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.195 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.529 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -59.76 -11.75 5.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.396 -178.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.529 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.9 mt-30 -51.44 -156.94 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.261 0.553 . . . . 0.0 111.636 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -54.16 -21.08 7.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.555 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.71 -34.19 58.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.504 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.0 m -58.14 -14.0 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.812 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -55.55 -36.06 66.38 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.91 -28.63 62.23 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.189 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.68 -39.35 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.59 -41.03 93.87 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.114 -1.034 . . . . 0.0 109.701 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -63.27 -38.78 92.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.822 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 m -70.51 -31.3 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.256 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.11 -36.37 72.81 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.41 -40.02 85.32 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.888 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -67.02 -41.24 86.97 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.655 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.6 mt -68.21 -36.63 79.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.824 0.345 . . . . 0.0 111.37 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.495 ' OD1' ' OE1' ' A' ' 73' ' ' GLU . 97.5 m-20 -98.6 71.24 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.141 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.28 -29.02 69.6 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -53.68 -36.48 62.21 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.123 -1.399 . . . . 0.0 110.089 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.55 3.69 74.38 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 108.441 -1.864 . . . . 0.0 108.441 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.694 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.9 p30 -62.57 -35.78 80.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.316 -0.942 . . . . 0.0 113.03 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.694 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 86.83 0.75 85.63 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 108.562 -1.815 . . . . 0.0 108.562 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.584 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 95.9 mt-10 -116.64 157.97 24.51 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 114.44 -0.88 . . . . 0.0 109.098 179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.45 150.41 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.647 0.737 . . . . 0.0 111.449 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -102.88 161.85 13.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.048 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -51.51 -40.05 58.84 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.16 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -57.6 -41.59 81.52 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.824 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.495 ' OE1' ' OD1' ' A' ' 62' ' ' ASP . 93.1 mt-10 -68.27 -39.82 82.04 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.536 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -63.36 -44.48 94.68 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.7 p -59.68 -39.14 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.509 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.6 m -75.97 -33.24 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 120.055 -0.658 . . . . 0.0 109.91 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.431 ' CD2' ' C ' ' A' ' 77' ' ' LEU . 7.8 tt -59.73 -42.82 93.98 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.736 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.8 m -73.41 -32.65 37.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.401 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.39 92.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.485 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.11 -43.0 93.44 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.307 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 65.0 mt -64.7 -36.28 83.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.718 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.5 m -53.31 -37.69 62.48 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.484 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.91 -35.88 63.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.237 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.77 80.7 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.257 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.4 tpt -59.12 -38.41 79.53 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -58.32 -44.38 88.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.017 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.76 -41.75 99.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.288 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.74 -42.08 96.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.044 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -53.58 -39.19 64.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.994 -178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -54.41 -34.74 61.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.595 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.32 -32.67 72.54 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.63 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.85 136.99 42.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.5 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.1 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.559 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.499 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 57.4 p -69.73 161.62 29.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.725 0.298 . . . . 0.0 110.588 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.26 -38.73 77.5 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.746 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.85 -41.7 98.14 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.573 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.96 -40.88 97.1 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.413 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -64.53 -40.2 95.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.683 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.25 93.64 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.571 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.4 ptp -62.54 -39.64 94.24 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.96 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -57.08 -31.69 65.5 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.1 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.8 m -55.59 -38.29 69.22 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.194 -0.603 . . . . 0.0 109.926 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.7 mt -62.93 -40.31 97.23 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.44 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.571 ' CG2' ' CE1' ' B' ' 16' ' ' HIS . 76.6 mt -64.13 -46.16 94.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.362 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -60.7 -41.72 95.75 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.442 -0.503 . . . . 0.0 112.007 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 30.2 m -72.31 -39.11 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.338 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.22 -47.1 87.68 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.642 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.571 ' CE1' ' CG2' ' B' ' 12' ' ' ILE . 62.5 m170 -61.66 -45.66 93.06 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.897 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.2 -50.44 65.9 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 119.892 -0.723 . . . . 0.0 111.968 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.454 ' CD2' ' CD1' ' B' ' 36' ' ' LEU . 92.4 m-70 -62.64 -46.44 88.21 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.553 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t -61.43 -41.94 97.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.007 0.432 . . . . 0.0 111.322 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.58 ' O ' ' NZ ' ' B' ' 25' ' ' LYS . . . -63.62 -39.53 97.67 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 115.475 -0.784 . . . . 0.0 113.602 -178.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -60.01 -43.39 95.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -177.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.445 ' O ' ' CD ' ' B' ' 32' ' ' GLU . 94.9 mt-10 -131.89 150.71 52.07 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.753 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.09 -165.86 53.59 Favored Glycine 0 CA--C 1.518 0.263 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.8 137.16 49.3 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.58 ' NZ ' ' O ' ' B' ' 20' ' ' GLY . 68.2 mmtt -61.12 -39.49 90.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.015 0.436 . . . . 0.0 110.233 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -67.38 -34.91 78.26 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.583 ' NZ ' ' OE1' ' B' ' 68' ' ' GLU . 34.2 mtpt -122.9 153.15 40.06 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.9 tp -98.41 125.57 43.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.095 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 57.0 p -83.6 156.47 22.71 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.325 -0.55 . . . . 0.0 109.874 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -59.24 -36.93 76.35 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 119.074 -1.051 . . . . 0.0 109.787 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -55.59 -42.0 74.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 119.282 -0.967 . . . . 0.0 108.534 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.445 ' CD ' ' O ' ' B' ' 22' ' ' GLU . 48.8 mt-10 -67.67 -38.68 84.07 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.002 177.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 tp -64.31 -46.71 82.38 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -60.4 -44.13 95.98 Favored 'General case' 0 N--CA 1.436 -1.171 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.915 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.38 -38.93 91.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.177 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.454 ' CD1' ' CD2' ' B' ' 18' ' ' HIS . 36.1 tp -64.29 -43.89 93.38 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 120.078 -0.649 . . . . 0.0 111.433 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.453 ' N ' HD23 ' B' ' 37' ' ' LEU . 0.5 OUTLIER -68.14 -42.83 79.53 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.577 179.799 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -64.92 -42.1 94.99 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.49 -0.884 . . . . 0.0 111.622 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.55 -42.71 74.21 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.507 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 77.2 mm-40 -75.18 -33.76 61.49 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.616 ' N ' ' CD2' ' B' ' 41' ' ' LEU . 0.5 OUTLIER -95.88 142.83 27.66 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.957 0.885 . . . . 0.0 113.265 -178.292 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.61 ' C ' ' H ' ' B' ' 44' ' ' PHE . 25.1 m -55.65 -28.88 57.86 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.024 177.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' B' ' 46' ' ' ASP . . . -44.7 -10.22 0.01 OUTLIER Glycine 0 CA--C 1.522 0.471 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.442 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.61 ' H ' ' C ' ' B' ' 42' ' ' SER . 65.7 t80 -49.39 -41.01 38.1 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.39 -36.52 73.66 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 43' ' ' GLY . 88.9 m-20 -86.56 13.18 8.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.243 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.541 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -59.7 -11.77 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.326 -178.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.541 ' O ' ' O ' ' B' ' 47' ' ' ALA . 94.0 mt-30 -51.48 -156.95 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.292 0.567 . . . . 0.0 111.628 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -54.04 -21.22 7.83 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.481 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -53.67 -34.2 57.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.809 0.338 . . . . 0.0 110.534 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 23.7 m -58.12 -14.02 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.774 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.61 -36.08 66.56 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.89 -28.6 62.08 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.195 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.2 t -56.64 -39.43 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.64 -40.94 93.83 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.078 -1.049 . . . . 0.0 109.618 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -63.26 -38.84 92.74 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.78 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.412 HG23 ' N ' ' B' ' 58' ' ' MET . 2.5 m -70.44 -31.41 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 120.203 -0.599 . . . . 0.0 112.215 -177.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.412 ' N ' HG23 ' B' ' 57' ' ' VAL . 96.3 mmm -58.04 -36.39 72.68 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.33 -40.08 85.19 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.969 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.91 -41.31 87.31 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.013 -0.675 . . . . 0.0 111.685 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.5 mt -68.2 -36.58 79.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.85 0.357 . . . . 0.0 111.399 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.488 ' OD1' ' OE1' ' B' ' 73' ' ' GLU . 97.4 m-20 -98.61 71.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.114 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.25 -29.12 69.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -53.54 -36.57 61.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.106 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.54 3.75 74.33 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.694 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.9 p30 -62.44 -35.82 80.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.417 -0.891 . . . . 0.0 113.057 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.694 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 86.73 0.81 85.77 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 108.58 -1.808 . . . . 0.0 108.58 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.583 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 95.9 mt-10 -116.72 157.98 24.58 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 114.408 -0.896 . . . . 0.0 109.163 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.39 150.4 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.627 0.727 . . . . 0.0 111.474 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -102.95 161.75 13.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.519 -1.219 . . . . 0.0 108.99 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -51.49 -40.06 58.79 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.148 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -57.58 -41.54 81.35 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.904 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.488 ' OE1' ' OD1' ' B' ' 62' ' ' ASP . 93.1 mt-10 -68.33 -39.83 81.83 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.475 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -63.26 -44.51 94.93 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.401 HG12 ' N ' ' B' ' 76' ' ' VAL . 2.7 p -59.6 -39.26 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.551 -178.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.401 ' N ' HG12 ' B' ' 75' ' ' VAL . 31.5 m -75.81 -33.36 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 120.159 -0.616 . . . . 0.0 109.896 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.433 ' C ' ' CD2' ' B' ' 77' ' ' LEU . 7.8 tt -59.82 -42.81 94.33 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.626 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 23.0 m -73.4 -32.58 37.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.371 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.35 92.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.426 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.17 -43.04 93.01 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.266 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.405 ' CD1' ' CD1' ' B' ' 37' ' ' LEU . 65.8 mt -64.7 -36.25 83.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.751 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 48.5 m -53.2 -37.8 62.31 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.602 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 71.6 t -59.82 -35.9 63.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.275 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.8 80.92 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.164 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.4 tpt -59.14 -38.27 79.28 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -58.41 -44.32 88.97 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.038 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.79 -41.72 99.38 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.322 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.71 -42.13 96.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.048 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -53.54 -39.12 64.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.05 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -54.49 -34.73 62.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.579 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.3 -32.71 72.57 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.655 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.85 137.02 42.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.599 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 m -63.21 157.56 22.26 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.993 0.425 . . . . 0.0 110.508 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -59.51 -37.28 77.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.171 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.8 mt -63.94 -39.2 93.6 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.276 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.82 -39.19 90.62 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.619 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -63.1 -43.07 99.51 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.274 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.33 -37.34 83.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.223 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 45.0 ttm -58.42 -42.82 88.1 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.765 -178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.29 -31.78 65.96 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.11 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.8 m -56.94 -36.91 70.8 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.3 -41.03 98.93 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 118.738 -1.185 . . . . 0.0 110.49 -178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -64.69 -38.34 82.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.769 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -58.38 -43.39 88.45 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 119.819 -0.753 . . . . 0.0 111.06 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 15' ' ' PHE . 20.7 m -74.66 -39.03 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.169 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.505 ' O ' ' OG ' ' A' ' 19' ' ' SER . 68.2 t80 -62.19 -47.49 84.27 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.792 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -63.19 -48.7 77.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.953 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.34 -51.14 60.29 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.829 -179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.473 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 77.2 m80 -63.08 -46.89 85.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.32 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.523 ' N ' ' OE2' ' A' ' 32' ' ' GLU . 29.3 m -60.97 -40.18 92.42 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.477 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.87 -47.11 68.31 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.776 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.09 -44.63 96.24 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -132.78 144.56 50.33 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.873 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.524 ' O ' ' O ' ' A' ' 27' ' ' LYS . . . 73.95 19.53 79.76 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 121.232 -0.509 . . . . 0.0 112.237 177.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.478 ' O ' ' O ' ' A' ' 23' ' ' GLY . 89.4 m-20 59.91 138.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 117.253 0.526 . . . . 0.0 109.949 -179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -58.46 -38.46 77.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.912 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -62.62 -35.03 78.25 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -177.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.524 ' O ' ' O ' ' A' ' 23' ' ' GLY . 97.7 mttt -125.39 147.43 49.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.145 0.498 . . . . 0.0 111.729 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tt -107.31 131.71 53.92 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -103.92 151.8 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.584 ' HZ3' ' CG ' ' A' ' 55' ' ' ASP . 66.0 tttt -56.64 -37.31 70.59 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.339 -0.944 . . . . 0.0 110.565 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -55.92 -40.95 73.84 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 118.324 -1.35 . . . . 0.0 107.945 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.523 ' OE2' ' N ' ' A' ' 19' ' ' SER . 81.0 tt0 -66.14 -40.93 90.99 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.732 177.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 33.9 tp -67.19 -47.96 69.35 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -60.63 -45.89 92.35 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.763 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.78 -37.94 87.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.157 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 tt -64.24 -43.97 93.24 Favored 'General case' 0 CA--C 1.522 -0.113 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.661 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.436 ' N ' HD21 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -67.84 -39.61 83.83 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.158 178.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.68 -44.98 95.92 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.096 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.2 m -70.8 -42.02 70.84 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -74.09 -33.46 63.64 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.5 mt -97.17 148.13 23.38 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.598 ' C ' ' H ' ' A' ' 44' ' ' PHE . 24.6 m -55.13 -29.73 58.31 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 113.985 -1.461 . . . . 0.0 108.602 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -45.36 -10.46 0.02 OUTLIER Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.321 -1.111 . . . . 0.0 110.321 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.598 ' H ' ' C ' ' A' ' 42' ' ' SER . 55.5 t80 -50.08 -43.92 51.6 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.4 tp -62.09 -36.56 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.431 0.634 . . . . 0.0 109.571 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.68 ' C ' ' H ' ' A' ' 48' ' ' GLN . 89.1 m-20 -87.89 11.43 15.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.56 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.61 19.87 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.68 ' H ' ' C ' ' A' ' 46' ' ' ASP . 93.2 mt-30 -62.84 158.31 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 56.1 pttt -40.74 -16.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.667 -178.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 48' ' ' GLN . 92.3 m-20 -54.86 -34.56 63.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.183 0.516 . . . . 0.0 110.367 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 20.9 m -57.05 -11.79 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.356 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 92.2 m-20 -55.7 -34.62 65.25 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.49 -27.35 62.46 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.583 0.706 . . . . 0.0 109.974 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 5.0 p -52.36 -35.96 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.584 ' CG ' ' HZ3' ' A' ' 30' ' ' LYS . 55.9 t0 -60.11 -42.37 94.58 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.41 178.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -63.92 -38.69 92.02 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.601 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 m -69.48 -31.12 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 119.927 -0.709 . . . . 0.0 112.508 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.8 mmm -55.79 -37.5 68.68 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.613 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -59.66 -42.4 92.74 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.15 -40.86 86.77 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.56 -39.95 80.82 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 120.102 -0.639 . . . . 0.0 112.119 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 60.7 t0 -89.85 112.43 23.77 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.677 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.11 -33.43 76.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -57.17 -38.15 73.16 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.564 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.46 20.76 79.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.624 ' C ' ' H ' ' A' ' 68' ' ' GLU . 44.6 p30 -88.69 3.63 50.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.04 -7.02 0.21 Allowed Glycine 0 CA--C 1.529 0.913 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.624 ' H ' ' C ' ' A' ' 66' ' ' ASP . 84.4 tt0 -108.21 145.25 34.51 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.8 m -124.16 150.1 28.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 CA-C-O 121.973 0.892 . . . . 0.0 112.267 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -104.01 164.79 11.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 113.895 -1.502 . . . . 0.0 109.027 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -51.42 -41.29 60.67 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.94 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.94 -42.12 89.01 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 119.871 -0.732 . . . . 0.0 111.012 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -68.58 -38.3 80.58 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.206 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -62.52 -44.67 95.78 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.7 p -59.77 -39.31 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.667 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.2 m -76.13 -32.02 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.522 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.77 -42.47 93.39 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.752 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 m -73.24 -33.04 40.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.798 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.86 86.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.149 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.88 95.86 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.071 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.72 -36.44 84.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.225 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.7 m -52.89 -37.72 60.86 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.539 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.572 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 78.0 t -59.25 -36.43 63.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.459 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.79 -31.61 72.62 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.6 ttp -57.42 -38.44 74.34 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.58 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.726 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 32.0 p-10 -60.18 -42.42 94.98 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 119.279 -0.969 . . . . 0.0 109.712 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.726 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 93.6 m-20 -63.58 -38.47 91.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.765 178.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -60.12 -40.86 91.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.183 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.22 -38.92 63.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.973 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.27 -34.83 61.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.584 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.17 -32.38 72.11 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.641 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -99.58 120.23 39.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.447 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.569 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.5 m -63.28 157.56 22.51 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.904 0.383 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -59.41 -37.48 78.14 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.146 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 45.4 mt -63.81 -39.25 93.79 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.286 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.76 -39.37 90.97 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.522 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.8 m -62.97 -43.12 99.66 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.299 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.61 81.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.196 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 45.1 ttm -59.03 -42.83 91.14 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.677 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.18 -31.88 65.88 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.14 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.5 m -56.88 -36.89 70.62 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.959 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 37.5 mt -63.44 -40.84 98.23 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 118.702 -1.199 . . . . 0.0 110.475 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -64.76 -38.29 82.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.76 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -58.45 -43.41 88.82 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.84 -0.744 . . . . 0.0 111.003 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.445 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 20.9 m -74.6 -39.01 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.153 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.514 ' O ' ' OG ' ' B' ' 19' ' ' SER . 68.4 t80 -62.25 -47.4 84.55 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.843 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -63.24 -48.69 77.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.992 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.29 -51.15 60.29 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 120.069 -0.652 . . . . 0.0 111.873 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.474 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 77.2 m80 -63.0 -46.9 85.47 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.424 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.52 ' N ' ' OE2' ' B' ' 32' ' ' GLU . 28.5 m -60.94 -40.22 92.44 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.561 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.93 -47.08 67.96 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.728 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.02 -44.72 96.12 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -132.8 144.52 50.29 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.817 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.527 ' O ' ' O ' ' B' ' 27' ' ' LYS . . . 73.99 19.47 79.77 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.209 177.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' B' ' 23' ' ' GLY . 89.6 m-20 59.96 138.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.965 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -58.45 -38.41 77.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.902 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -62.71 -34.97 78.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -177.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.527 ' O ' ' O ' ' B' ' 23' ' ' GLY . 97.7 mttt -125.47 147.45 49.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.091 0.472 . . . . 0.0 111.825 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -107.31 131.65 53.99 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -103.84 151.79 22.68 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.572 ' HZ3' ' CG ' ' B' ' 55' ' ' ASP . 66.0 tttt -56.75 -37.23 70.75 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.554 -178.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -55.83 -41.03 73.66 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 118.328 -1.349 . . . . 0.0 107.996 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.52 ' OE2' ' N ' ' B' ' 19' ' ' SER . 81.1 tt0 -66.14 -40.89 90.94 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.787 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 33.8 tp -67.17 -47.98 69.34 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -60.62 -45.87 92.39 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.741 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.84 -37.9 87.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.155 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.33 -43.85 93.37 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 120.079 -0.649 . . . . 0.0 110.62 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.442 ' N ' HD21 ' B' ' 37' ' ' LEU . 0.5 OUTLIER -67.95 -39.64 83.4 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.081 178.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.65 -44.98 95.96 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.07 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -70.8 -42.11 70.73 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -73.98 -33.59 63.9 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -177.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 69.4 mt -97.17 148.07 23.44 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.598 ' C ' ' H ' ' B' ' 44' ' ' PHE . 24.7 m -55.09 -29.76 58.26 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 113.902 -1.499 . . . . 0.0 108.641 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -45.22 -10.48 0.02 OUTLIER Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.598 ' H ' ' C ' ' B' ' 42' ' ' SER . 55.7 t80 -50.12 -43.9 52.05 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.5 tp -62.05 -36.62 82.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.405 0.622 . . . . 0.0 109.618 177.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.681 ' C ' ' H ' ' B' ' 48' ' ' GLN . 88.8 m-20 -87.74 11.34 15.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.556 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.6 19.75 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.681 ' H ' ' C ' ' B' ' 46' ' ' ASP . 93.2 mt-30 -62.7 158.22 19.04 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 56.2 pttt -40.82 -15.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.67 -178.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' B' ' 48' ' ' GLN . 92.2 m-20 -54.9 -34.65 63.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.142 0.496 . . . . 0.0 110.297 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.451 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 20.7 m -56.87 -11.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.402 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' B' ' 49' ' ' LYS . 92.3 m-20 -55.62 -34.67 65.11 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 -27.49 62.4 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 121.586 0.707 . . . . 0.0 109.912 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.451 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 5.0 p -52.24 -36.05 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.572 ' CG ' ' HZ3' ' B' ' 30' ' ' LYS . 55.9 t0 -60.03 -42.49 94.49 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.35 178.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -63.85 -38.73 92.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.553 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 m -69.45 -31.15 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 120.006 -0.678 . . . . 0.0 112.48 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.8 mmm -55.88 -37.4 68.76 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.652 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -59.71 -42.36 92.86 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.11 -40.82 86.92 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.73 -39.85 80.18 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.07 -0.652 . . . . 0.0 112.063 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.54 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 60.8 t0 -89.99 112.4 23.79 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.641 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.04 -33.46 76.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -57.14 -38.19 73.14 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.531 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.54 20.67 79.49 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.61 ' C ' ' H ' ' B' ' 68' ' ' GLU . 44.8 p30 -88.79 3.68 50.19 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.03 -6.97 0.21 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.61 ' H ' ' C ' ' B' ' 66' ' ' ASP . 84.4 tt0 -108.24 145.31 34.49 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 25.5 m -124.12 150.07 28.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 CA-C-O 121.968 0.89 . . . . 0.0 112.27 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -104.03 164.84 11.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 113.847 -1.524 . . . . 0.0 109.014 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -51.45 -41.28 60.74 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.863 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.9 -42.22 89.06 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.016 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -68.58 -38.26 80.55 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 119.816 -0.753 . . . . 0.0 110.206 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -62.51 -44.65 95.84 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 p -59.84 -39.27 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.65 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 33.1 m -76.02 -32.09 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.513 178.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.86 -42.36 93.5 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.739 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.7 m -73.3 -33.01 39.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.709 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.79 86.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.091 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.47 -42.83 95.69 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.032 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 63.9 mt -64.79 -36.42 84.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.175 179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 75.1 m -52.82 -37.82 60.5 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.533 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.568 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 76.7 t -59.1 -36.55 63.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.458 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.78 -31.54 72.53 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 4.7 ttp -57.59 -38.4 74.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.476 -178.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.721 ' OD1' ' N ' ' B' ' 87' ' ' ASN . 32.1 p-10 -60.21 -42.36 94.98 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 119.184 -1.007 . . . . 0.0 109.716 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.721 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 93.6 m-20 -63.61 -38.43 91.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.714 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.17 -40.79 91.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.146 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.26 -38.94 63.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.305 -0.862 . . . . 0.0 109.999 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.25 -34.88 61.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.531 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.14 -32.45 72.16 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.552 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -99.51 120.28 39.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.42 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.56 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.614 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' B' ' 40' ' ' GLU . 53.2 p -69.56 161.37 29.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.658 0.266 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -61.91 -37.72 85.68 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.771 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 tp -61.41 -43.13 99.41 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.035 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.39 -42.31 88.07 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.048 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.6 m -61.61 -42.8 99.39 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.826 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.09 -41.53 86.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.927 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.0 ttp -63.19 -44.6 94.92 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.34 -31.52 67.66 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.098 0.475 . . . . 0.0 110.15 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.4 m -56.3 -36.23 68.42 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.821 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.11 -42.63 98.88 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.721 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.413 HG22 HD11 ' A' ' 12' ' ' ILE . 74.9 mt -66.13 -44.34 91.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.001 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -61.28 -41.52 97.08 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.413 -0.515 . . . . 0.0 112.035 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -73.95 -38.76 50.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.567 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -63.25 -49.47 74.01 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.422 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.47 -46.87 84.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.196 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.66 87.44 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 120.059 -0.657 . . . . 0.0 111.515 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.609 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 85.7 t60 -64.22 -47.45 79.63 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.581 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.5 p -63.39 -35.68 81.19 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.033 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.55 -40.22 94.15 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.336 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -59.92 -41.99 92.95 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.541 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -127.67 151.5 48.88 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.928 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.08 -162.73 42.58 Favored Glycine 0 C--N 1.332 0.355 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -71.47 136.93 47.83 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -61.3 -39.56 90.92 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.432 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -68.01 -33.81 75.32 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -115.68 146.68 41.63 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 tp -107.18 131.78 53.78 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.02 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -104.62 151.84 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.77 -37.93 71.78 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.709 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -55.19 -40.7 71.02 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 118.86 -1.136 . . . . 0.0 108.006 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.609 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 96.5 mt-10 -67.67 -38.76 84.19 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.521 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.77 -46.28 85.98 Favored 'General case' 0 C--N 1.345 0.373 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -59.73 -43.99 93.96 Favored 'General case' 0 N--CA 1.433 -1.288 0 C-N-CA 119.423 -0.911 . . . . 0.0 110.635 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -64.06 -41.13 97.48 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.446 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.5 tp -65.34 -45.14 85.38 Favored 'General case' 0 CA--C 1.527 0.065 0 C-N-CA 119.906 -0.718 . . . . 0.0 112.253 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -69.49 -42.73 74.39 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.823 -0.751 . . . . 0.0 112.143 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.37 -43.39 94.66 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 119.442 -0.903 . . . . 0.0 111.6 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -71.07 -42.48 69.33 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.488 ' O ' ' OG ' ' B' ' 2' ' ' SER . 77.3 mm-40 -74.51 -32.9 62.66 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -177.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.53 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 22.2 tp -100.14 123.69 44.68 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 119.654 -0.818 . . . . 0.0 112.011 -177.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.508 ' C ' ' H ' ' A' ' 44' ' ' PHE . 86.2 p -62.09 -27.51 68.96 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.782 0.801 . . . . 0.0 109.122 178.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.53 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -49.1 -14.29 0.45 Allowed Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 178.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.508 ' H ' ' C ' ' A' ' 42' ' ' SER . 86.8 t80 -51.47 -41.76 61.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.706 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.05 -42.08 84.66 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.055 -1.058 . . . . 0.0 108.89 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -67.35 -33.04 74.4 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.026 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.595 ' O ' ' C ' ' A' ' 48' ' ' GLN . . . -58.92 -33.27 70.38 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -175.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.595 ' C ' ' O ' ' A' ' 47' ' ' ALA . 94.1 mt-30 15.82 -126.84 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 118.416 0.553 . . . . 0.0 111.604 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -59.02 -31.62 68.99 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.078 0.466 . . . . 0.0 110.371 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 47' ' ' ALA . 92.4 m-20 -55.42 -31.13 61.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.006 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.561 ' N ' ' O ' ' A' ' 47' ' ' ALA . 6.0 p -52.31 -31.88 15.43 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.039 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.523 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.74 -36.29 67.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.996 0.427 . . . . 0.0 110.595 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -27.32 61.02 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.919 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.441 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 5.0 p -51.71 -37.45 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -64.8 -41.37 95.86 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.826 -0.749 . . . . 0.0 110.172 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.73 -39.95 95.68 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 m -71.31 -30.82 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 120.031 -0.668 . . . . 0.0 112.334 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.0 mmm -57.06 -37.98 72.6 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.856 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -60.78 -44.83 96.29 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.104 -0.639 . . . . 0.0 111.688 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.81 -41.03 79.23 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.322 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -67.55 -38.03 83.57 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 120.684 -0.406 . . . . 0.0 112.08 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.542 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 45.6 t0 -88.71 108.35 19.43 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.52 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.15 -34.68 78.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.456 0.646 . . . . 0.0 109.267 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -58.67 -39.14 79.81 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.037 -178.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.43 8.06 85.56 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 107.896 -2.081 . . . . 0.0 107.896 -177.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.663 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 44.5 p30 -63.27 -33.82 76.33 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 114.07 -1.065 . . . . 0.0 112.995 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.663 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.82 -6.02 66.93 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.51 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 59.2 mp0 -112.21 156.24 22.66 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.9 m -124.05 151.54 29.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 122.237 1.017 . . . . 0.0 113.275 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 55.9 t0 -104.3 163.27 12.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 113.369 -1.741 . . . . 0.0 108.646 178.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.485 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 74.1 t80 -51.2 -42.26 60.78 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.225 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -59.52 -41.93 91.1 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.167 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -65.8 -38.41 88.89 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.876 -0.729 . . . . 0.0 110.065 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -61.78 -41.58 97.9 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.943 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 t -60.02 -45.02 95.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.03 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.7 m -71.24 -34.85 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.986 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 77' ' ' LEU . 2.8 tm? -58.98 -44.79 91.62 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.047 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 m -72.83 -37.37 54.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.469 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.46 -43.31 97.7 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.821 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.39 99.78 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.641 0.734 . . . . 0.0 110.176 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.0 -39.37 94.57 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.52 -178.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.5 m -54.75 -37.14 65.6 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.492 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 70.9 t -59.13 -34.1 52.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.968 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.1 -36.77 75.71 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.29 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.1 mmm -57.99 -38.01 75.31 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.634 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -59.69 -43.8 93.9 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.303 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -64.69 -45.98 84.33 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.116 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -67.41 -36.66 81.73 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.204 0.526 . . . . 0.0 111.502 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -53.99 -39.26 65.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.052 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.34 -34.67 61.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.07 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -57.56 -33.24 67.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.396 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -103.54 136.88 42.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.9 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.548 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.488 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 53.1 p -69.56 161.32 29.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.672 0.272 . . . . 0.0 110.381 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -61.92 -37.57 85.15 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.835 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 16.5 tp -61.49 -43.08 99.5 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.053 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.4 -42.35 87.99 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.073 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 41.3 m -61.52 -42.81 99.37 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.921 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.15 -41.39 86.11 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.968 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 62.9 ttp -63.08 -44.81 94.72 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.3 -31.52 67.58 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.054 0.454 . . . . 0.0 110.105 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.7 m -56.23 -36.29 68.33 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.815 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.1 -42.64 98.9 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 118.532 -1.267 . . . . 0.0 110.764 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.428 HD11 HG22 ' B' ' 12' ' ' ILE . 74.7 mt -66.08 -44.44 91.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.955 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -61.22 -41.56 97.07 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.436 -0.506 . . . . 0.0 112.032 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -73.87 -38.84 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 119.775 -0.77 . . . . 0.0 110.6 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -63.29 -49.38 74.24 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.359 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.59 -46.87 83.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.165 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.73 87.53 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.602 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.606 ' NE2' ' O ' ' B' ' 32' ' ' GLU . 85.7 t60 -64.17 -47.45 79.8 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.633 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 82.6 p -63.39 -35.7 81.27 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.952 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.16 94.06 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 121.1 -0.572 . . . . 0.0 112.331 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -59.95 -41.97 93.02 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.545 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -127.68 151.52 48.85 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.921 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.11 -162.73 42.69 Favored Glycine 0 C--N 1.331 0.305 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 178.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.46 136.96 47.86 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -61.24 -39.64 91.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.208 0.528 . . . . 0.0 110.425 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -68.0 -33.86 75.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -115.72 146.69 41.66 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 tp -107.16 131.75 53.8 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.005 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -104.6 151.94 23.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.91 -37.91 72.09 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 118.996 -1.081 . . . . 0.0 110.697 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -55.11 -40.73 70.79 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 118.805 -1.158 . . . . 0.0 108.014 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.606 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 96.4 mt-10 -67.66 -38.76 84.23 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.506 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.82 -46.25 85.93 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -59.73 -44.02 93.96 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.556 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -64.12 -41.06 97.37 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.454 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 35.0 tp -65.44 -45.05 85.34 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 119.852 -0.739 . . . . 0.0 112.237 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -69.63 -42.58 74.12 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.789 -0.765 . . . . 0.0 112.138 -179.783 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.47 -43.28 94.7 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.669 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.6 m -71.2 -42.37 69.08 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.501 ' O ' ' OG ' ' A' ' 2' ' ' SER . 77.3 mm-40 -74.58 -32.8 62.5 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.538 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 22.2 tp -100.21 123.68 44.74 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 119.648 -0.821 . . . . 0.0 112.081 -177.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.504 ' C ' ' N ' ' B' ' 44' ' ' PHE . 86.2 p -62.11 -27.46 68.94 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.758 0.79 . . . . 0.0 109.084 178.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.538 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -49.05 -14.32 0.44 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 178.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.504 ' N ' ' C ' ' B' ' 42' ' ' SER . 86.5 t80 -51.46 -41.71 61.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.17 -42.03 85.12 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.875 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -67.32 -33.1 74.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.958 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.599 ' O ' ' C ' ' B' ' 48' ' ' GLN . . . -58.86 -33.31 70.33 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.599 ' C ' ' O ' ' B' ' 47' ' ' ALA . 94.1 mt-30 15.8 -126.74 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.398 0.544 . . . . 0.0 111.601 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -59.11 -31.56 69.04 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.054 0.454 . . . . 0.0 110.382 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' B' ' 47' ' ' ALA . 92.3 m-20 -55.44 -31.04 61.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.986 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' B' ' 47' ' ' ALA . 6.1 p -52.41 -31.9 15.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.447 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.75 -36.29 67.14 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.921 0.391 . . . . 0.0 110.469 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.96 -27.22 60.99 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.943 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 5.0 p -51.86 -37.41 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -64.73 -41.32 96.03 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.323 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -62.73 -39.99 95.8 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 m -71.24 -30.81 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 120.105 -0.638 . . . . 0.0 112.356 -177.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.9 mmm -57.13 -37.97 72.78 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.869 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -60.75 -44.86 96.18 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.665 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.72 -41.18 79.42 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.366 -0.533 . . . . 0.0 112.293 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -67.43 -38.04 83.93 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.669 -0.413 . . . . 0.0 112.112 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.544 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 45.8 t0 -88.68 108.28 19.38 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.561 -179.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.19 -34.62 77.91 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -58.65 -39.16 79.8 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.105 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.48 8.08 85.67 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 107.873 -2.091 . . . . 0.0 107.873 -177.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.67 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 44.6 p30 -63.33 -33.82 76.35 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 114.042 -1.079 . . . . 0.0 112.961 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.67 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.85 -5.96 66.8 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.484 -1.447 . . . . 0.0 109.484 -178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.489 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 59.2 mp0 -112.27 156.23 22.74 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.3 m -124.06 151.57 29.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 122.271 1.034 . . . . 0.0 113.264 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 55.9 t0 -104.3 163.28 12.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 113.357 -1.747 . . . . 0.0 108.615 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.52 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 73.8 t80 -51.14 -42.36 60.69 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.184 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -59.54 -41.87 91.03 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.214 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -65.66 -38.64 89.89 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.12 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -61.64 -41.56 97.67 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.021 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 t -60.0 -45.0 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.042 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.24 -34.9 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 119.528 -0.869 . . . . 0.0 110.029 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.517 ' CD1' ' C ' ' B' ' 77' ' ' LEU . 2.8 tm? -58.89 -44.88 91.25 Favored 'General case' 0 C--N 1.339 0.121 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.091 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.0 m -72.83 -37.36 54.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 119.766 -0.773 . . . . 0.0 111.412 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.41 -43.36 97.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.39 99.81 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.698 0.761 . . . . 0.0 110.164 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.94 -39.36 94.38 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.609 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 43.6 m -54.67 -37.19 65.43 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.537 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.0 -34.25 52.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.006 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.07 -36.71 75.53 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.288 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 89.1 mmm -57.98 -38.05 75.35 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.649 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -59.6 -43.9 93.58 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.333 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -64.65 -46.0 84.39 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.132 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -67.24 -36.75 82.3 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.216 0.532 . . . . 0.0 111.537 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -54.08 -39.26 66.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.967 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.3 -34.62 61.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.088 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -57.58 -33.27 68.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.368 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.59 137.0 42.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.554 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 m -62.75 153.9 31.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 110.569 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.56 -37.52 84.1 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.732 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.0 tp -60.96 -42.52 98.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.843 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.59 ' OE2' ' N ' ' B' ' 42' ' ' SER . 97.4 mt-10 -67.4 -39.57 85.57 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.829 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -61.41 -43.39 98.95 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.919 -0.712 . . . . 0.0 110.677 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.65 -42.0 78.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.449 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.7 ttp -62.95 -44.06 97.09 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -58.84 -31.18 68.27 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 120.926 0.393 . . . . 0.0 110.102 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.8 m -56.14 -36.35 68.17 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.252 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.4 mt -60.95 -40.64 94.09 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.606 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.58 -47.6 90.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.503 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -60.89 -40.97 95.07 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.566 -0.453 . . . . 0.0 112.176 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -73.22 -38.75 55.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.013 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -61.93 -51.8 66.65 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 119.591 -0.843 . . . . 0.0 110.697 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -65.18 -45.47 84.72 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 113.024 0.749 . . . . 0.0 113.024 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.13 -52.42 55.38 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.656 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.479 ' CG ' ' CD1' ' A' ' 36' ' ' LEU . 90.6 m-70 -63.35 -45.03 93.08 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.119 -0.633 . . . . 0.0 111.841 179.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.4 p -63.58 -35.04 79.18 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.709 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.27 -40.61 94.79 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.68 -38.45 81.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.38 -0.41 . . . . 0.0 111.737 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.465 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 77.6 mm-40 -116.19 152.69 33.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.072 0.463 . . . . 0.0 111.627 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 22' ' ' GLU . . . 39.79 -161.83 0.01 OUTLIER Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.76 136.08 48.64 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.418 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -60.53 -39.32 87.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.076 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -64.18 -33.5 75.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.926 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -116.47 143.08 46.04 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.59 0.709 . . . . 0.0 112.119 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.4 tp -106.62 131.05 54.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.724 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 t -101.86 147.27 26.71 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -55.99 -36.35 67.78 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 118.685 -1.206 . . . . 0.0 110.023 -178.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -55.53 -40.79 72.27 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 118.722 -1.191 . . . . 0.0 108.097 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.465 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 96.8 mt-10 -65.92 -36.67 84.02 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.64 -45.75 88.8 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.484 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.53 -43.79 93.36 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 118.817 -1.153 . . . . 0.0 110.401 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.88 -41.31 87.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.087 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.479 ' CD1' ' CG ' ' A' ' 18' ' ' HIS . 38.7 tp -65.8 -47.26 75.71 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.065 -0.654 . . . . 0.0 112.066 -178.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.561 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -70.28 -40.76 74.14 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.146 -0.621 . . . . 0.0 111.647 179.569 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -63.46 -46.71 84.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.272 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -71.66 -43.88 65.26 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.75 -33.02 62.26 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.505 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.2 tp -99.52 140.24 33.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.276 0.56 . . . . 0.0 111.954 -177.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.639 ' C ' ' H ' ' A' ' 44' ' ' PHE . 24.0 t -51.57 -26.62 9.01 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.505 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -45.49 -8.93 0.02 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.639 ' H ' ' C ' ' A' ' 42' ' ' SER . 48.1 t80 -48.71 -42.5 35.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.42 -36.67 78.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.44 0.638 . . . . 0.0 109.366 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' GLY . 58.8 t0 -80.23 10.91 3.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.922 -1.036 . . . . 0.0 110.739 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.537 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -61.69 -10.38 8.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.466 -178.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.537 ' O ' ' O ' ' A' ' 47' ' ' ALA . 94.0 mt-30 -49.34 -162.85 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.382 0.61 . . . . 0.0 111.951 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -54.73 -20.64 8.78 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.352 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -53.58 -33.42 54.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.27 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.481 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 22.5 m -57.61 -17.05 6.6 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.78 -178.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -56.2 -35.86 67.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.137 0.494 . . . . 0.0 109.76 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.16 -26.95 61.42 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.881 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.481 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 4.7 p -52.13 -36.85 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.318 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.47 -42.1 98.6 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.215 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.01 -39.92 95.18 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -71.36 -30.1 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.0 mmm -55.05 -35.68 64.76 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -58.33 -41.98 85.78 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.959 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.12 -40.02 86.75 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.428 -0.509 . . . . 0.0 112.275 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -67.74 -38.13 83.09 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.469 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -91.18 70.78 6.22 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.386 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.91 -35.1 77.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.607 HD22 ' CG ' ' A' ' 66' ' ' ASP . 43.2 p-10 -64.62 -31.22 72.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.91 178.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.58 11.2 69.01 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.119 -0.562 . . . . 0.0 111.934 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.667 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 56.8 p30 -61.28 -34.66 75.56 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.667 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 91.76 -0.34 73.32 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -178.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -113.62 158.09 21.27 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.624 -0.788 . . . . 0.0 109.376 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -106.18 131.96 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.285 0.564 . . . . 0.0 110.679 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -100.99 157.52 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.132 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -52.78 -41.31 63.98 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.456 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -59.05 -41.55 88.14 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.374 178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.86 -38.45 83.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.408 0.623 . . . . 0.0 110.422 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -63.06 -46.06 89.25 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.56 -39.84 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.959 -178.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.84 -33.05 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 120.231 -0.588 . . . . 0.0 109.506 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.62 -44.43 89.95 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.688 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.57 -33.87 46.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.158 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.99 86.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.73 93.75 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.298 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.95 -37.46 87.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.03 0.443 . . . . 0.0 110.171 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.0 m -54.18 -37.08 64.09 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.499 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.32 -35.54 58.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.776 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.33 88.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.499 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.48 -40.07 77.78 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -58.69 -43.81 90.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.373 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -63.03 -41.37 99.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.576 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -65.99 -35.1 79.66 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.659 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -53.17 -39.3 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.919 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -54.54 -35.09 62.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.735 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.53 -32.39 72.44 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.486 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -102.53 136.59 42.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.606 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.597 -179.896 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -62.79 153.93 31.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.563 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.8 -37.34 84.01 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.686 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 19.1 tp -60.98 -42.55 98.58 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.781 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.583 ' OE2' ' N ' ' A' ' 42' ' ' SER . 97.4 mt-10 -67.49 -39.45 85.21 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.727 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.3 m -61.5 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.629 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.64 -41.98 78.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.414 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.7 ttp -63.02 -44.02 97.11 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -58.82 -31.22 68.27 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.005 0.431 . . . . 0.0 110.153 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.6 m -56.17 -36.27 68.14 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.355 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.94 -40.68 94.19 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.213 -0.995 . . . . 0.0 110.601 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.63 -47.53 90.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.486 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.88 -40.87 94.65 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.51 -0.476 . . . . 0.0 112.234 -178.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 m -73.35 -38.67 54.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 119.992 -0.683 . . . . 0.0 111.008 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -61.88 -51.92 66.23 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.617 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -65.06 -45.6 84.67 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -52.48 55.78 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 119.801 -0.76 . . . . 0.0 111.731 -178.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.475 ' CG ' ' CD1' ' B' ' 36' ' ' LEU . 90.7 m-70 -63.29 -45.08 93.08 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.903 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.6 p -63.55 -35.09 79.34 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.751 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.22 -40.57 94.87 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -59.61 -38.53 81.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.478 -0.361 . . . . 0.0 111.745 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.458 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 77.8 mm-40 -116.2 152.72 33.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.038 0.447 . . . . 0.0 111.595 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' B' ' 22' ' ' GLU . . . 39.74 -161.89 0.01 OUTLIER Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.79 136.1 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.428 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -60.53 -39.31 87.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.064 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -64.2 -33.43 75.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.939 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -116.51 143.16 45.94 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.591 0.71 . . . . 0.0 112.045 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 tp -106.69 131.04 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.662 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.6 t -101.88 147.31 26.67 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -55.85 -36.37 67.46 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 118.662 -1.215 . . . . 0.0 110.135 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -55.55 -40.64 72.16 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 118.706 -1.198 . . . . 0.0 108.168 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.458 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 96.8 mt-10 -65.98 -36.7 84.03 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.72 -45.64 89.03 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.517 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -59.65 -43.75 93.77 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 118.82 -1.152 . . . . 0.0 110.362 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.92 -41.33 87.23 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.059 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.475 ' CD1' ' CG ' ' B' ' 18' ' ' HIS . 38.5 tp -65.66 -47.36 75.81 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 120.048 -0.661 . . . . 0.0 112.097 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -70.16 -40.75 74.53 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.742 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -63.42 -46.67 85.27 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.956 -0.697 . . . . 0.0 111.288 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.1 m -71.74 -43.94 64.95 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.72 -33.0 62.3 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.505 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.3 tp -99.67 140.31 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.293 0.568 . . . . 0.0 111.86 -177.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.613 ' C ' ' H ' ' B' ' 44' ' ' PHE . 23.9 t -51.67 -26.56 9.37 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.505 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -45.51 -8.91 0.02 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.613 ' H ' ' C ' ' B' ' 42' ' ' SER . 48.2 t80 -48.74 -42.44 35.32 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.37 -36.74 78.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.406 0.622 . . . . 0.0 109.368 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' B' ' 43' ' ' GLY . 58.8 t0 -80.25 10.99 3.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.788 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.528 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -61.74 -10.34 8.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.473 -178.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.528 ' O ' ' O ' ' B' ' 47' ' ' ALA . 94.0 mt-30 -49.36 -162.76 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.369 0.604 . . . . 0.0 111.992 -179.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -54.79 -20.73 9.17 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.373 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.43 -33.49 54.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.324 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.48 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 22.6 m -57.53 -17.11 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.745 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -56.19 -35.87 67.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.119 0.485 . . . . 0.0 109.774 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.16 -26.87 61.29 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.858 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 4.6 p -52.15 -36.95 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.279 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.47 -42.0 98.59 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.32 -0.952 . . . . 0.0 110.194 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.13 -39.74 94.68 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -71.43 -30.18 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 92.9 mmm -55.03 -35.64 64.65 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -58.36 -42.04 86.08 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.984 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.05 -40.03 87.05 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.277 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.562 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 0.5 OUTLIER -67.72 -38.18 83.23 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.485 179.8 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -91.08 70.76 6.31 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.471 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.89 -35.14 77.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.626 HD22 ' CG ' ' B' ' 66' ' ' ASP . 43.5 p-10 -64.61 -31.19 72.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.949 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.62 11.05 69.16 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 121.059 -0.591 . . . . 0.0 111.906 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.657 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 56.7 p30 -61.12 -34.71 75.41 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.657 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 91.82 -0.32 73.1 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -113.68 158.18 21.22 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 114.602 -0.799 . . . . 0.0 109.332 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -106.25 131.97 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.365 0.602 . . . . 0.0 110.532 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -101.02 157.46 16.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.215 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -52.71 -41.32 63.81 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.481 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -58.99 -41.64 88.1 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.435 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.9 -38.42 82.96 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.403 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -63.04 -46.12 89.05 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.3 p -60.58 -39.78 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.964 -178.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.84 -33.02 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 120.281 -0.568 . . . . 0.0 109.577 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.62 -44.52 89.98 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.685 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.55 -33.76 45.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.199 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.01 87.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.655 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.91 94.27 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.333 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.84 -37.48 87.54 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.212 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 55.7 m -54.14 -37.23 64.14 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 87.7 t -59.1 -35.65 58.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.874 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.23 88.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.452 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.46 -40.18 77.96 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -58.57 -43.86 89.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.39 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -63.03 -41.38 99.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.567 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -65.99 -35.07 79.59 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.646 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.29 -39.23 63.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.826 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -54.54 -35.06 62.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.778 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.53 -32.38 72.43 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.501 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -102.55 136.66 41.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.515 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.607 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' B' ' 40' ' ' GLU . 61.7 m -62.75 153.51 32.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.755 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.92 -36.36 81.12 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.888 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.2 tp -60.38 -42.96 96.96 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.224 0.535 . . . . 0.0 109.833 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.85 -42.24 86.05 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -61.48 -43.17 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.032 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.0 -41.3 82.48 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.969 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.8 ttp -62.51 -43.15 99.52 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.69 -31.28 68.08 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.277 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.5 m -55.99 -36.14 67.54 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.267 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.15 -40.6 94.47 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.972 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.9 -48.17 85.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.407 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -61.28 -41.28 96.68 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.538 -0.465 . . . . 0.0 112.253 -178.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.613 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 18.0 m -72.5 -39.31 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.381 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.86 -46.2 90.03 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.892 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.02 -49.34 75.0 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.933 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -45.86 83.63 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.706 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 74.6 m-70 -61.7 -46.21 90.65 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.239 -0.585 . . . . 0.0 111.32 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.5 p -63.79 -36.55 84.27 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.231 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.08 -39.15 96.12 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.867 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -59.61 -41.3 90.08 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.467 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -125.12 149.86 47.45 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.946 0.403 . . . . 0.0 111.799 -179.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.84 -154.51 4.77 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -74.47 133.53 42.36 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.173 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.05 -40.93 95.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.244 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -65.67 -32.87 74.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.05 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -116.37 143.02 46.08 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 112.497 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -108.1 132.05 53.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.068 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.9 t -102.29 150.39 23.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.685 0.279 . . . . 0.0 110.486 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' HZ1' HG12 ' A' ' 54' ' ' VAL . 28.8 tptp -54.35 -40.45 68.09 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.112 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -60.04 -42.31 94.17 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.622 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.467 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 97.3 mt-10 -65.81 -38.22 88.37 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.156 0.503 . . . . 0.0 110.184 178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.9 tp -62.15 -42.76 99.56 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.596 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.53 ' HZ1' ' CG2' ' A' ' 54' ' ' VAL . 12.4 tppt? -62.23 -47.47 84.25 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.054 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -63.83 -39.47 94.29 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.144 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.403 HD12 ' CD2' ' A' ' 18' ' ' HIS . 14.7 tp -67.51 -56.83 7.96 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 tp -68.8 -40.86 79.38 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.714 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.474 HE21 ' HA ' ' A' ' 44' ' ' PHE . 49.2 tp60 -62.7 -44.89 95.06 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.714 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.7 m -70.93 -44.37 66.29 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 113.242 0.831 . . . . 0.0 113.242 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.492 ' O ' ' OG ' ' B' ' 2' ' ' SER . 77.1 mm-40 -75.1 -30.7 60.96 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.458 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 16.9 tp -94.5 139.73 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.069 0.461 . . . . 0.0 111.307 -177.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.62 ' C ' ' H ' ' A' ' 44' ' ' PHE . 23.8 t -52.64 -27.37 16.89 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.458 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -45.58 -10.53 0.02 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.62 ' H ' ' C ' ' A' ' 42' ' ' SER . 62.0 t80 -50.24 -41.84 50.86 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.086 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.1 mt -59.96 -32.67 71.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.852 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.699 ' C ' ' H ' ' A' ' 48' ' ' GLN . 89.0 m-20 -81.42 9.52 7.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.716 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.22 18.85 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.699 ' H ' ' C ' ' A' ' 46' ' ' ASP . 93.8 mt-30 -71.38 -165.8 0.16 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.975 0.417 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -56.73 -24.11 47.31 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.626 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -51.49 -32.75 28.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.443 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 42.9 t -49.83 -40.34 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.149 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.81 -35.42 66.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.97 0.414 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.4 -26.89 54.68 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.982 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.53 ' CG2' ' HZ1' ' A' ' 34' ' ' LYS . 5.4 p -51.73 -36.81 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.967 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.424 ' N ' ' CG1' ' A' ' 54' ' ' VAL . 56.6 t0 -65.8 -45.22 83.2 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.357 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -63.34 -41.1 98.85 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.1 m -72.51 -29.58 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.747 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.8 ttt -54.51 -39.91 68.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.798 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -60.29 -39.36 86.65 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.325 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.05 -42.25 94.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.531 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.31 -38.83 85.59 Favored 'General case' 0 CA--C 1.521 -0.138 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.337 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.525 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 64.3 t0 -90.91 110.3 21.53 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.564 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.35 -33.49 75.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.15 0.5 . . . . 0.0 110.176 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -57.06 -39.05 74.16 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.066 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.99 4.51 67.61 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 108.126 -1.99 . . . . 0.0 108.126 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.8 p30 -63.58 -33.54 75.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.316 -0.942 . . . . 0.0 112.865 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.653 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.23 -0.06 63.64 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -102.83 143.55 32.3 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.56 132.49 49.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-O 121.683 0.754 . . . . 0.0 112.262 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 58.2 t0 -109.4 155.51 21.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.376 -1.284 . . . . 0.0 108.992 178.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.489 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 81.8 t80 -52.39 -41.34 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.12 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -57.8 -40.47 80.0 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.064 -0.655 . . . . 0.0 110.291 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -67.28 -38.32 84.87 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.282 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.69 -45.19 91.18 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 76' ' ' VAL . 3.2 p -60.35 -39.2 80.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.769 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.4 ' N ' HG12 ' A' ' 75' ' ' VAL . 28.4 m -76.26 -33.48 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.159 -0.617 . . . . 0.0 109.965 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.436 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 9.6 tt -60.97 -41.66 96.81 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.2 m -72.37 -32.45 42.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 CA-C-O 121.319 0.581 . . . . 0.0 110.745 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.31 -36.66 80.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.934 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.44 94.07 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.581 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.436 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 6.5 mp -65.3 -37.32 86.78 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.126 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.3 m -53.75 -37.4 63.34 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.377 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.4 t -59.77 -34.52 55.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.391 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.61 77.15 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.195 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.4 mmm -60.48 -37.25 80.46 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.924 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -59.63 -45.46 91.9 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.912 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -66.58 -44.46 82.17 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.121 0.486 . . . . 0.0 111.537 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -62.82 -42.56 99.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.03 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -53.02 -39.26 63.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.158 -177.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.77 -35.21 63.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.518 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.05 -32.83 73.39 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.607 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -100.84 120.58 40.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.616 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.551 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.492 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 61.3 m -62.65 153.4 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.793 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.78 -36.49 81.23 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.879 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 19.3 tp -60.32 -43.1 96.69 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.735 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.68 -42.38 86.61 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 42.8 m -61.4 -43.17 99.34 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.911 -0.715 . . . . 0.0 111.096 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.3 82.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 63.9 ttp -62.53 -43.13 99.56 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.54 -31.54 68.04 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.038 0.447 . . . . 0.0 110.246 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.7 m -55.87 -36.16 67.3 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.336 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.14 -40.62 94.52 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.244 -0.983 . . . . 0.0 110.927 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -64.8 -48.18 85.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.415 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.35 -41.21 96.68 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.515 -0.474 . . . . 0.0 112.251 -178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.607 ' O ' ' CD2' ' B' ' 18' ' ' HIS . 18.1 m -72.37 -39.5 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 119.827 -0.749 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.78 -46.21 89.88 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 119.925 -0.71 . . . . 0.0 109.9 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.04 -49.37 74.83 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.869 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.97 83.47 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.685 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' B' ' 14' ' ' VAL . 74.3 m-70 -61.71 -46.21 90.63 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.265 -0.574 . . . . 0.0 111.275 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.6 p -63.88 -36.41 83.82 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.941 -0.704 . . . . 0.0 110.24 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.24 96.04 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.804 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -59.54 -41.32 89.77 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.461 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -125.16 149.84 47.52 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.026 0.441 . . . . 0.0 111.756 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.86 -154.51 4.8 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -74.53 133.55 42.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.062 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.4 ' HZ1' ' HB3' ' B' ' 25' ' ' LYS . 8.0 ttpm? -61.1 -40.82 95.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.291 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -65.62 -32.9 74.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.102 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -116.49 142.89 46.28 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.584 0.706 . . . . 0.0 112.459 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 tp -108.04 132.14 53.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.034 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 26.8 t -102.31 150.46 23.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.693 0.282 . . . . 0.0 110.477 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.401 ' HZ1' HG22 ' B' ' 54' ' ' VAL . 28.8 tptp -54.36 -40.51 68.16 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.085 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -60.02 -42.29 94.02 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.642 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.461 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 97.2 mt-10 -65.8 -38.33 88.68 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.08 0.467 . . . . 0.0 110.112 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.17 -42.52 99.35 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.671 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.527 ' HZ1' ' CG2' ' B' ' 54' ' ' VAL . 12.4 tppt? -62.52 -47.39 84.13 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.983 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -63.78 -39.54 94.52 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.129 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 14.9 tp -67.42 -56.85 7.98 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 tp -68.79 -40.85 79.39 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.719 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.471 HE21 ' HA ' ' B' ' 44' ' ' PHE . 49.3 tp60 -62.77 -44.9 94.96 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.659 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.9 m -70.94 -44.43 66.12 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.485 ' O ' ' OG ' ' A' ' 2' ' ' SER . 77.0 mm-40 -75.04 -30.68 61.12 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.459 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 16.9 tp -94.46 139.7 30.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.11 0.481 . . . . 0.0 111.307 -177.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.615 ' C ' ' H ' ' B' ' 44' ' ' PHE . 23.6 t -52.64 -27.37 16.89 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.459 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -45.61 -10.52 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.111 -1.196 . . . . 0.0 110.111 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.615 ' H ' ' C ' ' B' ' 42' ' ' SER . 62.0 t80 -50.19 -41.84 50.19 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.077 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.09 -32.54 71.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.816 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.688 ' C ' ' H ' ' B' ' 48' ' ' GLN . 88.9 m-20 -81.43 9.52 7.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.752 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.27 18.84 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.688 ' H ' ' C ' ' B' ' 46' ' ' ASP . 93.8 mt-30 -71.33 -165.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -56.77 -24.1 47.84 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.62 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -51.46 -32.78 28.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 43.2 t -49.84 -40.33 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.189 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.76 -35.44 66.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.015 0.436 . . . . 0.0 110.776 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.51 -26.78 55.5 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.971 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.527 ' CG2' ' HZ1' ' B' ' 34' ' ' LYS . 5.4 p -51.72 -36.96 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.925 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.428 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 56.4 t0 -65.66 -45.19 83.91 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.446 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -63.43 -41.02 98.67 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 21.2 m -72.55 -29.52 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.771 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.9 ttt -54.53 -39.95 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -60.21 -39.37 86.36 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.357 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.13 -42.24 94.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.514 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 70.4 mt -67.24 -38.88 85.91 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.311 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 64.3 t0 -90.93 110.33 21.57 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.613 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.35 -33.5 75.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 0.0 110.218 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -56.9 -39.26 74.09 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.065 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.03 4.54 67.88 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 108.204 -1.958 . . . . 0.0 108.204 -177.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.656 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.7 p30 -63.58 -33.45 75.63 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 114.214 -0.993 . . . . 0.0 112.952 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.656 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.23 -0.1 63.68 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -178.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -102.82 143.6 32.24 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.57 132.49 49.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 121.764 0.792 . . . . 0.0 112.21 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 58.2 t0 -109.4 155.46 21.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.276 -1.329 . . . . 0.0 108.995 178.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.484 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 82.3 t80 -52.27 -41.4 62.82 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.739 -0.784 . . . . 0.0 110.117 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -57.82 -40.38 79.87 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.327 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -67.36 -38.31 84.59 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.303 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.63 -45.36 90.63 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.4 HG12 ' N ' ' B' ' 76' ' ' VAL . 3.0 p -60.23 -39.17 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 119.954 -0.699 . . . . 0.0 110.907 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.4 ' N ' HG12 ' B' ' 75' ' ' VAL . 28.3 m -76.26 -33.52 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.967 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' B' ' 81' ' ' LEU . 9.6 tt -60.86 -41.73 96.47 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.925 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 m -72.29 -32.4 42.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 121.419 0.628 . . . . 0.0 110.882 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.31 -36.66 80.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.97 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.5 93.89 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.563 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' B' ' 77' ' ' LEU . 6.5 mp -65.29 -37.27 86.66 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.101 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.7 m -53.81 -37.38 63.48 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.393 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.1 t -59.73 -34.49 55.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.405 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.03 -37.64 77.42 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.118 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 89.3 mmm -60.51 -37.3 80.68 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.92 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -59.57 -45.44 91.85 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.909 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -66.66 -44.49 81.7 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.14 0.495 . . . . 0.0 111.537 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -62.84 -42.48 99.75 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.051 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -53.06 -39.33 63.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.076 -177.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -54.59 -35.32 63.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.528 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.13 -32.75 73.37 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.574 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -100.95 120.63 40.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.598 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.511 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' B' ' 40' ' ' GLU . 89.9 p -107.66 151.82 25.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.664 0.268 . . . . 0.0 110.492 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.93 -38.21 87.59 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.641 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.52 -42.06 99.26 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 120.241 -0.584 . . . . 0.0 109.584 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.67 -41.57 99.15 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.616 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.0 m -63.75 -40.17 96.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.659 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.02 -43.9 90.93 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.367 -178.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.5 ptp -64.71 -43.34 93.77 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 119.082 -1.047 . . . . 0.0 111.307 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -57.77 -31.94 67.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.066 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.4 m -56.03 -37.69 69.53 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.824 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.0 mt -62.9 -41.24 99.37 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.638 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.571 ' CG2' ' CE1' ' A' ' 16' ' ' HIS . 78.3 mt -64.89 -45.43 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.423 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -59.5 -43.16 93.43 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.711 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.437 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 23.3 m -72.59 -36.93 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.257 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -62.63 -49.14 76.35 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.086 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CE1' ' CG2' ' A' ' 12' ' ' ILE . 55.5 m170 -63.73 -48.49 76.84 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -51.42 59.1 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 119.83 -0.748 . . . . 0.0 111.973 -178.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.54 ' CG ' ' CD1' ' A' ' 36' ' ' LEU . 77.7 m80 -62.71 -46.57 87.48 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.68 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.8 t -60.34 -40.7 91.63 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.74 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.59 -35.89 92.49 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.948 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.94 -41.3 82.49 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.242 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.496 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -127.09 140.8 52.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.628 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.7 -166.04 53.36 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.388 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -73.0 141.99 47.73 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.86 -40.66 93.8 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.205 0.526 . . . . 0.0 110.625 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -68.0 -33.44 74.63 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -115.76 142.86 46.19 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -177.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.0 tp -108.24 132.31 53.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.748 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -104.28 151.94 22.81 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -55.89 -39.4 71.52 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.193 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -59.18 -41.9 89.56 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.001 -1.08 . . . . 0.0 109.151 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.496 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.9 mt-10 -65.89 -37.37 85.95 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.456 0.646 . . . . 0.0 109.781 178.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.7 tp -61.3 -42.06 98.03 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.658 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.585 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 85.6 mttt -60.54 -43.2 97.45 Favored 'General case' 0 CA--C 1.513 -0.469 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.918 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.51 -39.25 91.62 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.96 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.54 ' CD1' ' CG ' ' A' ' 18' ' ' HIS . 45.3 tp -64.75 -52.65 55.88 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.949 -0.7 . . . . 0.0 112.596 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.7 mt -71.22 -36.27 71.81 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.966 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.23 -46.62 89.14 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.574 -0.85 . . . . 0.0 110.812 -178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.6 m -74.82 -44.96 46.5 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.487 ' O ' ' OG ' ' B' ' 2' ' ' SER . 78.4 mm-40 -75.39 -31.29 60.39 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -176.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.586 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 17.4 tp -95.25 131.97 40.74 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -175.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.633 ' C ' ' H ' ' A' ' 44' ' ' PHE . 24.7 m -54.7 -29.56 53.41 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.586 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -44.3 -9.76 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 114.301 -1.318 . . . . 0.0 109.824 178.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.633 ' H ' ' C ' ' A' ' 42' ' ' SER . 63.7 t80 -47.07 -44.08 20.63 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.441 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -64.44 -41.81 96.36 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.456 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 43' ' ' GLY . 54.8 t0 -62.8 -34.63 77.67 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.29 179.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.576 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -29.0 -67.89 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.234 -177.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.576 ' O ' ' O ' ' A' ' 47' ' ' ALA . 94.2 mt-30 32.93 -161.89 0.0 OUTLIER 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.166 0.508 . . . . 0.0 111.204 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.449 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 25.5 pttm -58.96 -29.02 66.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.445 0.641 . . . . 0.0 109.335 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.76 -33.21 55.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.174 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' A' ' 47' ' ' ALA . 6.2 p -52.85 -32.95 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.934 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.2 p30 -58.95 -32.39 69.57 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.642 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.662 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -56.95 -27.52 61.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.827 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.438 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 5.5 p -54.06 -35.64 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.103 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.585 ' OD1' ' NZ ' ' A' ' 34' ' ' LYS . 87.3 m-20 -67.41 -44.6 78.42 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 119.812 -0.755 . . . . 0.0 112.812 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -68.82 -42.8 76.74 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 54' ' ' VAL . 2.8 p -61.72 -31.23 50.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.821 -1.082 . . . . 0.0 112.057 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.6 ttt -52.52 -37.53 57.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.82 -40.0 82.85 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.07 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.49 -40.43 85.21 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.877 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.63 -38.11 80.26 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.572 ' OD2' ' N ' ' A' ' 65' ' ' GLY . 23.5 t70 -84.6 100.62 11.54 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 119.454 -0.898 . . . . 0.0 111.029 -179.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.36 -34.74 76.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.294 0.569 . . . . 0.0 110.446 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -57.38 -37.98 73.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.811 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.572 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 79.23 4.91 89.16 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 107.819 -2.112 . . . . 0.0 107.819 -177.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.674 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.9 p30 -63.25 -34.47 77.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.201 -0.999 . . . . 0.0 112.806 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.674 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 93.44 -0.26 68.06 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -111.92 153.28 26.96 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.256 -0.472 . . . . 0.0 109.765 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.6 t -108.02 133.7 52.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.443 0.64 . . . . 0.0 111.633 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 55.3 t0 -101.45 155.68 17.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.099 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 76.3 t80 -52.05 -42.77 63.4 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.44 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -59.06 -40.56 85.55 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.366 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.52 -38.4 90.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.343 0.592 . . . . 0.0 109.804 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -63.21 -41.08 99.09 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.242 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.23 -45.69 95.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.751 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.83 -33.85 53.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.913 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.9 tp -58.22 -48.84 79.12 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.91 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.81 -33.6 31.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.17 91.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.408 -178.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.06 96.22 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.979 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.7 -37.5 87.57 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.248 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.5 m -53.59 -38.38 63.88 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.245 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 80.1 t -61.44 -34.55 61.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.642 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.05 85.64 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.914 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.9 ttp -57.16 -39.63 75.63 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.485 -0.886 . . . . 0.0 108.741 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -59.03 -41.49 87.94 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.54 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.93 -43.42 98.66 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.501 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -64.63 -35.01 79.64 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.932 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.34 -39.43 64.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.298 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.25 -34.9 61.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.195 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.8 -33.63 68.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.35 137.18 42.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.494 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.587 179.927 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 90.3 p -107.68 151.68 25.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 0.0 110.488 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.84 -38.18 87.23 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.686 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.59 -42.05 99.33 Favored 'General case' 0 C--O 1.244 0.765 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.587 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.63 -41.54 99.08 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.676 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.1 m -63.79 -40.19 96.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.669 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.96 -43.97 90.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.356 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 15.6 ptp -64.64 -43.43 93.69 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.326 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -57.67 -32.01 66.9 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.16 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.4 m -56.03 -37.67 69.51 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 120.229 -0.589 . . . . 0.0 109.922 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.78 -41.28 99.19 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.673 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.568 ' CG2' ' CE1' ' B' ' 16' ' ' HIS . 78.5 mt -64.89 -45.45 94.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.349 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -59.57 -43.12 93.69 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.611 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 m -72.56 -37.13 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.14 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -62.47 -49.11 76.69 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.192 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.568 ' CE1' ' CG2' ' B' ' 12' ' ' ILE . 55.6 m170 -63.78 -48.49 76.7 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.71 -51.53 58.6 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.963 -178.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.549 ' CG ' ' CD1' ' B' ' 36' ' ' LEU . 77.7 m80 -62.61 -46.67 87.22 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.173 -0.611 . . . . 0.0 111.656 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.8 t -60.34 -40.65 91.44 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.741 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.51 -35.99 92.61 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.956 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -57.94 -41.26 82.4 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.292 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.49 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -127.2 140.87 51.94 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.595 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.66 -166.03 53.32 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -73.05 142.06 47.62 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.91 -40.68 94.06 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.217 0.532 . . . . 0.0 110.585 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -67.88 -33.64 75.13 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -178.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -115.63 142.84 46.2 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.8 tp -108.18 132.35 53.72 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 114.408 -1.269 . . . . 0.0 108.835 177.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -104.33 151.91 22.88 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -55.81 -39.47 71.37 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.172 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -59.14 -41.89 89.36 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.165 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.49 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.9 mt-10 -65.94 -37.33 85.75 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.441 0.638 . . . . 0.0 109.789 178.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 18.5 tp -61.23 -42.1 98.02 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.641 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.592 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 85.5 mttt -60.55 -43.24 97.43 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.855 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.49 -39.24 91.67 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.965 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.549 ' CD1' ' CG ' ' B' ' 18' ' ' HIS . 45.2 tp -64.82 -52.49 56.51 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 119.826 -0.75 . . . . 0.0 112.657 -178.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.4 mt -71.32 -36.13 71.47 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 119.604 -0.838 . . . . 0.0 111.97 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.406 HE22 ' HB1' ' B' ' 47' ' ' ALA . 67.3 tp60 -60.3 -46.68 89.02 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.626 -0.83 . . . . 0.0 110.813 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 50.4 m -74.77 -44.96 46.9 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.473 ' O ' ' OG ' ' A' ' 2' ' ' SER . 78.4 mm-40 -75.36 -31.42 60.51 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -176.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.608 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 17.3 tp -95.18 132.02 40.58 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -175.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.632 ' C ' ' H ' ' B' ' 44' ' ' PHE . 24.5 m -54.78 -29.54 54.51 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.608 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -44.4 -9.66 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.865 178.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.632 ' H ' ' C ' ' B' ' 42' ' ' SER . 63.9 t80 -47.1 -44.06 20.97 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.436 ' CD1' ' C ' ' B' ' 45' ' ' LEU . 0.2 OUTLIER -64.48 -41.81 96.25 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.483 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' B' ' 47' ' ' ALA . 54.8 t0 -62.83 -34.59 77.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.33 179.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.594 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -29.02 -67.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.261 -177.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.594 ' O ' ' O ' ' B' ' 47' ' ' ALA . 94.2 mt-30 32.95 -161.96 0.0 OUTLIER 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 111.198 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.448 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 25.5 pttm -58.91 -28.94 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.382 0.61 . . . . 0.0 109.376 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.85 -33.23 55.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.155 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' B' ' 47' ' ' ALA . 6.2 p -52.85 -32.89 18.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.955 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.2 p30 -59.06 -32.37 69.71 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.567 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.669 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -56.96 -27.47 61.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.879 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.442 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 5.5 p -54.06 -35.7 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.086 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.592 ' OD1' ' NZ ' ' B' ' 34' ' ' LYS . 87.2 m-20 -67.36 -44.57 78.65 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 119.77 -0.772 . . . . 0.0 112.841 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -68.88 -42.81 76.47 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.404 HG12 ' O ' ' B' ' 54' ' ' VAL . 2.8 p -61.59 -31.4 50.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.071 -177.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.5 ttt -52.43 -37.57 57.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.802 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -58.77 -40.06 82.84 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.072 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.45 -40.45 85.4 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.336 -0.545 . . . . 0.0 111.853 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.59 -38.11 80.38 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.587 ' OD2' ' N ' ' B' ' 65' ' ' GLY . 23.6 t70 -84.68 100.67 11.62 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.987 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.33 -34.81 76.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.298 0.571 . . . . 0.0 110.469 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -57.36 -38.02 73.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.748 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.587 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 79.27 4.96 89.21 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 107.841 -2.104 . . . . 0.0 107.841 -177.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.671 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.1 p30 -63.23 -34.47 77.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.095 -1.052 . . . . 0.0 112.838 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.671 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 93.39 -0.15 68.05 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -178.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -111.99 153.32 26.97 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.307 -0.446 . . . . 0.0 109.82 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 42.1 t -107.98 133.6 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.376 0.608 . . . . 0.0 111.628 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 55.4 t0 -101.49 155.79 17.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.177 178.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.475 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 76.4 t80 -52.13 -42.7 63.54 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.385 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -59.2 -40.51 85.97 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.101 -0.639 . . . . 0.0 110.406 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.54 -38.4 90.89 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.791 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -63.1 -41.1 99.3 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.322 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.26 -45.68 95.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.692 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.81 -33.96 54.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.865 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.9 tp -58.11 -48.89 78.82 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.963 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.96 -33.4 29.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.087 0.47 . . . . 0.0 112.257 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.21 92.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.332 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.94 95.92 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.923 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.5 mt -63.66 -37.51 87.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.287 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 58.9 m -53.55 -38.47 63.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.254 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.34 -34.58 61.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.72 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.41 -38.15 86.06 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.857 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 5.9 ttp -57.03 -39.7 75.3 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 119.498 -0.881 . . . . 0.0 108.721 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -58.97 -41.48 87.64 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.539 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.91 -43.44 98.56 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.478 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -64.61 -35.04 79.73 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.88 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -53.44 -39.38 64.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.24 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.19 -34.92 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.196 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.92 -33.5 68.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.606 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -104.41 137.19 42.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.605 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.445 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 33.3 t -107.46 142.23 37.64 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.016 0.436 . . . . 0.0 110.661 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.64 -36.75 79.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.555 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.96 -42.47 98.35 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.004 -0.679 . . . . 0.0 109.857 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -67.06 -39.22 86.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.643 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -61.8 -43.03 99.66 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.931 -0.708 . . . . 0.0 110.401 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.04 -38.98 83.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.48 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.2 ttm -61.02 -45.02 96.49 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.08 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.42 -31.55 67.83 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.212 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.8 m -56.52 -36.91 69.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.201 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.17 -42.31 99.15 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 118.998 -1.081 . . . . 0.0 110.659 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.446 HG23 HD13 ' A' ' 12' ' ' ILE . 74.0 mt -66.36 -43.34 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.02 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -60.18 -43.38 95.89 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.96 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.6 m -74.46 -40.78 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.283 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -63.38 -49.2 74.76 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.829 -0.749 . . . . 0.0 110.182 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -64.0 -46.88 82.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.34 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.36 -51.8 53.48 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.836 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.518 ' CG ' ' CD1' ' A' ' 36' ' ' LEU . 76.8 m80 -62.07 -46.62 88.33 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.069 -0.653 . . . . 0.0 111.416 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p -64.0 -35.26 80.11 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.355 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.25 -38.07 93.45 Favored Glycine 0 CA--C 1.522 0.487 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.175 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -58.92 -41.77 88.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.514 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -127.65 147.85 50.37 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.667 -179.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.61 -163.87 53.13 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 177.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -71.93 136.88 47.02 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.59 -39.2 90.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.122 0.487 . . . . 0.0 110.881 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -67.24 -33.8 76.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -119.05 150.63 39.66 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.3 tp -102.73 133.67 47.38 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 114.004 -1.453 . . . . 0.0 108.718 177.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.7 m -102.33 154.81 18.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -55.28 -42.15 73.22 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.921 -178.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -60.09 -42.04 93.77 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.127 -1.029 . . . . 0.0 109.558 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.1 mt-10 -66.56 -39.7 88.64 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.912 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 tt -65.06 -43.03 93.61 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.868 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -60.74 -46.53 90.08 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.095 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.27 -38.8 88.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.11 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.518 ' CD1' ' CG ' ' A' ' 18' ' ' HIS . 48.6 tp -63.03 -45.4 92.5 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.099 -0.641 . . . . 0.0 111.846 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -70.07 -40.68 74.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.461 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -63.25 -45.12 93.03 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 119.734 -0.786 . . . . 0.0 111.306 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.1 m -70.9 -43.66 67.86 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.451 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.0 mm-40 -74.71 -32.03 62.03 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -177.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.442 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 14.1 tp -97.52 140.35 32.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.373 0.606 . . . . 0.0 111.787 -177.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.608 ' O ' ' N ' ' A' ' 44' ' ' PHE . 27.3 m -50.35 -27.31 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -44.47 -9.24 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.584 -1.007 . . . . 0.0 110.584 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.608 ' N ' ' O ' ' A' ' 42' ' ' SER . 58.9 t80 -49.35 -40.69 36.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.447 ' C ' ' H ' ' A' ' 47' ' ' ALA . 26.3 tp -58.31 -35.67 72.21 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 43' ' ' GLY . 89.2 m-20 -79.94 19.51 0.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.682 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -54.98 -21.88 13.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.368 -178.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.503 ' O ' ' O ' ' A' ' 47' ' ' ALA . 92.1 mm-40 -52.71 -154.6 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.3 0.571 . . . . 0.0 112.04 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 2.7 ptpp? -56.09 -24.44 40.26 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.58 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -52.6 -33.26 45.43 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.5 t -53.74 -35.47 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.256 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.9 p30 -56.91 -31.96 65.44 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.311 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.654 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -56.08 -27.07 52.11 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.329 0.585 . . . . 0.0 109.533 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.0 t -54.1 -41.31 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.011 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -64.83 -43.7 92.21 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.807 -0.757 . . . . 0.0 111.878 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -63.54 -38.64 91.92 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 m -69.92 -32.27 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 120.007 -0.677 . . . . 0.0 112.728 -178.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.6 mmm -57.84 -40.06 79.17 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.427 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.22 -41.06 98.05 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.568 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.91 -46.23 72.17 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.26 -39.44 74.96 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 120.004 -0.679 . . . . 0.0 112.734 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.511 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 62.9 t0 -89.37 109.2 20.13 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.658 -178.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.33 -34.36 78.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.29 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -55.58 -36.95 67.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.881 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.91 9.35 66.04 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 108.22 -1.952 . . . . 0.0 108.22 -177.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.675 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.5 p30 -62.72 -33.8 75.86 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 114.277 -0.962 . . . . 0.0 112.921 -178.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.675 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.24 -7.23 66.55 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.289 -1.525 . . . . 0.0 109.289 -178.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 58.5 mp0 -114.46 153.46 29.9 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.1 m -126.05 152.54 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 122.017 0.913 . . . . 0.0 112.813 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.3 t0 -102.95 159.76 15.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 113.77 -1.559 . . . . 0.0 108.526 178.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.493 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 74.5 t80 -51.16 -40.74 59.29 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.656 -179.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -58.08 -41.89 84.42 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.579 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -68.41 -38.11 80.95 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.144 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -63.35 -44.92 93.47 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.5 p -59.93 -39.84 81.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.634 -178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.2 m -74.37 -32.74 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.381 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 tp -56.66 -45.61 81.57 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.314 -0.555 . . . . 0.0 110.135 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.18 -34.63 45.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.307 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.12 -37.6 85.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.934 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.68 95.96 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.126 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.0 mt -64.25 -36.97 85.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.132 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 47.9 m -54.16 -36.77 63.7 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.68 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 70.5 t -58.64 -34.58 51.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.037 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.55 -37.48 75.79 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.29 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.2 mmm -60.61 -37.9 82.91 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.217 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -60.09 -45.86 91.52 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.694 -0.802 . . . . 0.0 111.036 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -65.9 -44.22 85.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.133 0.492 . . . . 0.0 111.476 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -62.54 -42.56 99.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.305 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -53.49 -39.01 64.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.915 -178.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -54.55 -34.87 62.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.539 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.5 -32.91 72.95 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.488 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -104.51 137.04 42.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.489 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.483 -179.929 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.451 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 33.4 t -107.55 142.38 37.55 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 110.646 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.76 -36.62 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.14 -42.33 98.35 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.0 -0.68 . . . . 0.0 109.85 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -67.2 -39.14 86.31 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.554 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.1 m -61.81 -43.18 99.36 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.304 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.95 83.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.432 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 48.1 ttm -60.97 -44.97 96.58 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-O 120.96 0.409 . . . . 0.0 112.023 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.47 -31.61 67.98 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.261 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.8 m -56.54 -36.89 69.78 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.182 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.19 -42.26 99.12 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 118.911 -1.116 . . . . 0.0 110.706 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.1 mt -66.34 -43.36 91.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.973 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -60.18 -43.54 95.77 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.937 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.408 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 20.2 m -74.31 -40.82 50.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 120.039 -0.665 . . . . 0.0 111.315 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -63.29 -49.27 74.67 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.229 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -63.96 -46.91 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.337 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.32 -51.86 53.0 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.837 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.518 ' CG ' ' CD1' ' B' ' 36' ' ' LEU . 76.9 m80 -62.02 -46.62 88.36 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.495 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -63.99 -35.26 80.11 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.407 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.83 93.16 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.199 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -59.07 -41.77 88.76 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.509 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.7 mm-40 -127.68 147.87 50.39 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.681 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.5 -163.94 52.92 Favored Glycine 0 C--N 1.33 0.223 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -71.82 136.95 47.24 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -61.66 -39.22 90.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 0.0 110.786 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -67.2 -33.88 76.32 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -178.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -119.01 150.67 39.56 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.4 tp -102.76 133.62 47.51 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 114.02 -1.445 . . . . 0.0 108.659 177.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.6 m -102.29 154.72 18.78 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -55.17 -42.16 72.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -60.03 -42.06 93.57 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.163 -1.015 . . . . 0.0 109.617 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.509 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.1 mt-10 -66.56 -39.79 88.69 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.916 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 tt -65.05 -43.0 93.73 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.892 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -60.8 -46.46 90.44 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 119.456 -0.897 . . . . 0.0 111.123 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.17 -38.81 88.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.17 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.518 ' CD1' ' CG ' ' B' ' 18' ' ' HIS . 49.0 tp -63.2 -45.25 92.6 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.765 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -70.04 -40.76 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.422 179.313 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -63.34 -45.14 92.6 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.759 -0.777 . . . . 0.0 111.178 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 52.6 m -70.9 -43.65 67.87 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.445 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 76.9 mm-40 -74.67 -32.1 62.12 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.457 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 14.2 tp -97.5 140.38 32.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.371 0.605 . . . . 0.0 111.733 -177.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.613 ' C ' ' H ' ' B' ' 44' ' ' PHE . 27.7 m -50.29 -27.23 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' B' ' 46' ' ' ASP . . . -44.64 -9.09 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 178.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.613 ' H ' ' C ' ' B' ' 42' ' ' SER . 58.9 t80 -49.45 -40.61 37.56 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.459 ' C ' ' H ' ' B' ' 47' ' ' ALA . 26.2 tp -58.31 -35.74 72.31 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' B' ' 43' ' ' GLY . 89.1 m-20 -79.91 19.54 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.663 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.495 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -54.93 -22.0 13.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.341 -179.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.495 ' O ' ' O ' ' B' ' 47' ' ' ALA . 92.1 mm-40 -52.65 -154.59 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.356 0.598 . . . . 0.0 112.053 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 2.7 ptpp? -55.98 -24.58 39.55 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.588 -178.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -52.55 -33.21 44.62 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.2 t -53.73 -35.44 26.85 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.289 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.66 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 52.1 p30 -56.94 -31.95 65.49 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.397 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.66 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -56.18 -26.87 52.4 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.282 0.563 . . . . 0.0 109.511 179.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 73.0 t -54.12 -41.31 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.01 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -64.8 -43.77 92.11 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 119.8 -0.76 . . . . 0.0 111.891 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -63.53 -38.62 91.81 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 29.4 m -69.99 -32.16 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 119.978 -0.689 . . . . 0.0 112.78 -178.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 95.4 mmm -57.94 -39.97 79.35 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.445 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.27 -41.0 98.08 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.59 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.9 -46.22 72.21 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.25 -39.59 74.93 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.079 -0.648 . . . . 0.0 112.717 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.524 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 62.9 t0 -89.32 109.31 20.22 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 119.467 -0.893 . . . . 0.0 111.743 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.42 -34.39 78.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.309 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -55.43 -37.02 67.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.96 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.08 9.15 66.31 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 108.188 -1.965 . . . . 0.0 108.188 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.681 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.5 p30 -62.65 -33.78 75.73 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 114.309 -0.945 . . . . 0.0 112.981 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.681 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.3 -7.12 66.35 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 58.6 mp0 -114.63 153.44 30.16 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 26.2 m -126.09 152.51 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.979 0.895 . . . . 0.0 112.826 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.6 t0 -103.0 159.76 15.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.786 -1.552 . . . . 0.0 108.429 178.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.492 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 74.8 t80 -51.11 -40.75 59.17 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.45 -0.9 . . . . 0.0 109.603 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -58.09 -41.92 84.5 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.597 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -68.34 -38.04 81.1 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.576 0.703 . . . . 0.0 110.198 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -63.47 -44.91 93.07 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.4 p -59.95 -39.79 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.634 -178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 35.2 m -74.37 -32.94 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.355 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 tp -56.54 -45.59 81.09 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.135 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.25 -34.59 44.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.249 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.53 85.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.907 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.68 95.7 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.039 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.2 -36.96 85.78 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.106 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 49.4 m -54.21 -36.8 63.85 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.628 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.7 t -58.56 -34.68 51.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.013 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.57 -37.37 75.6 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.351 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 89.4 mmm -60.63 -37.87 82.91 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.214 -0.595 . . . . 0.0 111.251 178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -60.09 -45.87 91.47 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.078 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -65.87 -44.3 85.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.119 0.485 . . . . 0.0 111.413 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -62.53 -42.54 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.208 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -53.52 -39.06 64.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.967 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -54.48 -34.9 62.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.54 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.44 -32.89 72.87 Favored 'General case' 0 N--CA 1.461 0.087 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.558 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -104.57 137.02 43.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.44 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.531 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -62.87 154.39 30.26 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.95 0.405 . . . . 0.0 110.599 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -58.2 -37.3 74.53 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.204 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.9 tp -59.37 -42.27 91.23 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.78 -40.11 94.72 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.19 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.8 m -60.26 -42.82 96.15 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.421 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.67 85.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.7 ttm -60.6 -43.86 96.94 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.299 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -57.93 -30.55 66.03 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.26 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.5 m -55.01 -38.34 67.77 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.997 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.9 mt -64.51 -41.18 96.57 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.576 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.38 -45.85 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.207 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.08 -42.95 95.71 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.781 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.0 m -71.02 -36.5 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.004 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.486 ' O ' ' OG ' ' A' ' 19' ' ' SER . 68.9 t80 -59.82 -48.12 82.98 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.934 179.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -63.45 -47.46 81.79 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.9 -48.8 75.18 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.198 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.548 ' CG ' ' CD1' ' A' ' 36' ' ' LEU . 75.3 m80 -63.35 -45.94 88.89 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.466 179.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 24.7 m -58.95 -40.88 86.01 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.714 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.62 -37.71 93.86 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.931 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.07 -42.26 89.94 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -123.83 149.18 46.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.12 -116.79 9.61 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 109.061 -1.616 . . . . 0.0 109.061 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 27' ' ' LYS . 51.7 p30 -143.6 159.07 43.11 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 178.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -61.91 -37.94 86.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.424 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -64.34 -35.78 81.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.54 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.472 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 41.4 mtmt -127.39 144.5 51.04 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.552 0.691 . . . . 0.0 112.344 -178.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 tp -108.27 125.77 52.05 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.489 ' HG ' ' H ' ' A' ' 32' ' ' GLU . 59.4 p -83.66 156.07 22.85 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.667 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 16.1 tptm -60.18 -44.69 94.87 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.44 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.84 -41.4 91.28 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.675 -0.81 . . . . 0.0 108.949 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.542 ' OE2' ' O ' ' A' ' 18' ' ' HIS . 84.5 tt0 -63.26 -38.34 90.79 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.864 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.5 tp -62.53 -43.67 98.24 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.48 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.506 ' O ' ' OE1' ' A' ' 38' ' ' GLN . 32.3 ttpt -60.24 -46.61 89.18 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.755 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.51 -38.54 91.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.605 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.548 ' CD1' ' CG ' ' A' ' 18' ' ' HIS . 50.3 tp -61.67 -45.58 93.39 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.697 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -69.15 -43.48 74.23 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.816 179.083 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.531 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -65.44 -42.77 92.04 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.975 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -69.86 -44.55 69.61 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 77.2 mm-40 -75.99 -31.25 58.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.47 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 14.3 tp -97.78 137.84 36.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.456 0.646 . . . . 0.0 111.92 -176.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.61 ' O ' ' N ' ' A' ' 44' ' ' PHE . 25.7 m -51.73 -28.36 14.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.126 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.47 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -44.66 -9.85 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.61 ' N ' ' O ' ' A' ' 42' ' ' SER . 66.0 t80 -49.53 -39.41 34.27 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.7 tp -56.77 -35.43 68.65 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.712 ' C ' ' H ' ' A' ' 48' ' ' GLN . 88.6 m-20 -79.88 12.61 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.309 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -55.5 19.32 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.317 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.712 ' H ' ' C ' ' A' ' 46' ' ' ASP . 25.3 mt-30 -65.21 161.77 18.6 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -53.74 -26.28 22.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.792 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.99 -35.07 63.95 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.443 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 5.5 p -53.75 -19.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.763 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.0 p30 -56.54 -30.6 63.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.693 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.654 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -57.09 -27.78 62.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 57' ' ' VAL . 6.8 p -53.51 -34.94 24.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.905 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.543 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 56.2 t0 -65.02 -43.8 91.25 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.806 -0.758 . . . . 0.0 112.344 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -69.63 -44.08 71.36 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.465 0.65 . . . . 0.0 112.499 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 54' ' ' VAL . 3.9 p -62.5 -32.5 55.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.476 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.573 ' SD ' ' O ' ' A' ' 58' ' ' MET . 3.3 tmm? -55.4 -36.54 66.55 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.099 0.476 . . . . 0.0 110.526 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -58.19 -37.46 74.8 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.073 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.17 -38.85 92.52 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.449 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.17 -38.03 84.76 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.812 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.513 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 63.6 t0 -85.88 108.8 18.32 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.947 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.61 -33.22 75.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.973 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -56.07 -38.64 70.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.046 -177.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.1 5.93 81.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 108.366 -1.894 . . . . 0.0 108.366 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.655 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.4 p30 -63.29 -32.97 74.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.398 -0.901 . . . . 0.0 112.53 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.655 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.55 -3.61 63.45 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.418 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 95.9 mt-10 -112.03 151.91 28.78 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -111.06 133.79 55.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.563 0.697 . . . . 0.0 111.589 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -99.41 157.85 16.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.051 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -52.59 -42.14 64.26 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.095 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.63 -41.23 85.46 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.226 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.11 -39.0 82.89 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.387 0.613 . . . . 0.0 110.494 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.06 -45.15 90.05 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.0 p -59.94 -38.95 78.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.594 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 32.6 m -75.96 -32.8 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.783 178.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.72 -41.65 95.7 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.2 m -72.48 -32.0 40.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 121.25 0.547 . . . . 0.0 110.993 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.23 -36.26 79.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.131 -179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.1 93.26 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.54 -36.46 83.86 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.144 0.497 . . . . 0.0 109.936 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.4 m -53.73 -36.99 62.89 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.737 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.0 t -58.98 -34.77 53.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.094 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.26 -36.88 76.3 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.242 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 88.9 mmm -60.04 -37.58 80.21 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.011 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -60.0 -46.16 90.39 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.574 -0.851 . . . . 0.0 111.161 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -65.5 -44.36 87.25 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.025 0.441 . . . . 0.0 111.472 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -62.58 -41.83 99.18 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.405 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -53.63 -39.31 64.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.094 -177.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.27 -34.78 61.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.065 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.67 -33.24 68.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -103.64 136.98 42.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.557 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.561 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.727 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -62.83 154.37 30.15 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.596 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -58.17 -37.33 74.5 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.19 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 14.8 tp -59.27 -42.35 91.0 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.78 -40.05 94.62 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.217 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.0 m -60.23 -42.82 96.03 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.522 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.57 85.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.998 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 47.8 ttm -60.69 -43.88 97.23 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.348 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -57.85 -30.52 65.86 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.322 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 41.0 m -55.15 -38.22 67.98 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.057 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.2 mt -64.47 -41.23 96.62 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.06 -1.056 . . . . 0.0 110.587 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.8 mt -64.31 -45.89 94.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.221 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.06 -42.95 95.61 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.799 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.411 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 24.8 m -71.08 -36.42 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.12 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.495 ' O ' ' OG ' ' B' ' 19' ' ' SER . 68.8 t80 -59.79 -48.16 82.82 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 119.338 -0.945 . . . . 0.0 109.896 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -63.42 -47.46 81.82 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -48.76 75.28 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.154 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.546 ' CG ' ' CD1' ' B' ' 36' ' ' LEU . 75.4 m80 -63.36 -46.01 88.54 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.494 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.495 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 24.5 m -58.9 -40.78 85.51 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.789 -179.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.63 -37.8 93.95 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.9 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.1 -42.21 89.95 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -123.89 149.07 46.27 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.24 -116.8 9.66 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' B' ' 27' ' ' LYS . 51.7 p30 -143.58 159.13 43.0 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -61.91 -37.95 86.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.456 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -64.33 -35.86 82.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.527 -178.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.464 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 41.3 mtmt -127.31 144.37 51.06 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.542 0.687 . . . . 0.0 112.414 -178.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 tp -108.06 125.78 51.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 177.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.511 ' HG ' ' H ' ' B' ' 32' ' ' GLU . 59.4 p -83.68 155.97 22.87 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.69 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 16.0 tptm -60.11 -44.64 94.71 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.548 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.91 -41.32 91.44 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 119.654 -0.818 . . . . 0.0 108.98 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.538 ' OE2' ' O ' ' B' ' 18' ' ' HIS . 84.6 tt0 -63.34 -38.28 90.52 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.832 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 18.4 tp -62.53 -43.55 98.53 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.493 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.51 ' O ' ' OE1' ' B' ' 38' ' ' GLN . 32.3 ttpt -60.4 -46.62 89.33 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.681 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.38 -38.65 91.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.658 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.546 ' CD1' ' CG ' ' B' ' 18' ' ' HIS . 50.3 tp -61.6 -45.6 93.4 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.682 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -69.22 -43.51 73.95 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.803 179.175 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.536 ' CD ' ' N ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -65.36 -42.79 92.41 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 119.842 -0.743 . . . . 0.0 112.069 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.4 m -69.89 -44.53 69.55 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.512 ' OE2' ' CE1' ' B' ' 18' ' ' HIS . 77.3 mm-40 -75.97 -31.29 58.95 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.477 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 14.2 tp -97.71 137.84 35.99 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.495 0.664 . . . . 0.0 111.999 -176.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.606 ' C ' ' H ' ' B' ' 44' ' ' PHE . 27.5 m -51.84 -28.28 15.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.098 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.477 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -44.61 -9.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.606 ' H ' ' C ' ' B' ' 42' ' ' SER . 65.9 t80 -49.45 -39.44 33.2 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.8 -35.4 68.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.712 ' C ' ' H ' ' B' ' 48' ' ' GLN . 88.8 m-20 -79.88 12.58 2.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.299 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' B' ' 44' ' ' PHE . . . -55.39 19.14 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.319 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.712 ' H ' ' C ' ' B' ' 46' ' ' ASP . 25.3 mt-30 -64.99 161.75 18.02 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -53.77 -26.31 23.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.764 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.05 -34.91 63.94 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.441 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 5.5 p -53.76 -19.44 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.669 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.641 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.0 p30 -56.44 -30.69 63.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.684 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.641 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.01 -27.82 61.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.448 ' O ' HG13 ' B' ' 57' ' ' VAL . 6.7 p -53.46 -34.93 24.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.945 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.543 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 56.4 t0 -65.1 -43.8 90.88 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.744 -0.783 . . . . 0.0 112.34 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -69.57 -44.13 71.46 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.459 0.647 . . . . 0.0 112.528 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.448 HG13 ' O ' ' B' ' 54' ' ' VAL . 3.9 p -62.45 -32.45 55.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.487 -177.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.568 ' SD ' ' O ' ' B' ' 58' ' ' MET . 3.3 tmm? -55.48 -36.5 66.68 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.104 0.478 . . . . 0.0 110.517 -179.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -58.29 -37.34 74.84 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.054 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.32 -38.78 92.25 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.365 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.27 -37.9 84.22 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.848 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.515 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 63.7 t0 -85.98 108.8 18.38 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.884 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.64 -33.25 75.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.003 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -55.99 -38.59 70.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.12 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.08 5.81 81.4 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.5 p30 -63.17 -33.03 74.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.307 -0.946 . . . . 0.0 112.581 -179.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.61 -3.57 63.29 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -178.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 95.9 mt-10 -112.09 151.87 28.91 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.2 t -111.04 133.79 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.494 0.664 . . . . 0.0 111.638 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -99.42 157.83 16.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.021 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -52.56 -42.13 64.16 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.125 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -58.73 -41.12 85.67 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.281 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.14 -38.99 82.77 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.396 0.617 . . . . 0.0 110.529 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -64.05 -45.14 90.12 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.9 p -59.96 -38.92 78.58 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 119.774 -0.77 . . . . 0.0 110.616 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 32.6 m -76.03 -32.83 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.696 178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.72 -41.6 95.61 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.232 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 25.1 m -72.5 -31.92 39.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.28 0.562 . . . . 0.0 111.01 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.21 79.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.125 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.12 93.23 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.039 -0.665 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.46 -36.45 83.94 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.161 0.505 . . . . 0.0 110.037 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.3 m -53.81 -36.85 62.92 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.778 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.95 -34.91 54.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.085 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.93 76.1 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.317 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 88.7 mmm -60.14 -37.58 80.52 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.946 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -59.87 -46.3 89.76 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.15 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -65.39 -44.5 87.31 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.046 0.45 . . . . 0.0 111.473 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -62.54 -41.83 99.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.426 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -53.59 -39.25 64.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.119 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.32 -34.73 61.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.103 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.61 -33.35 68.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -103.6 136.9 42.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.601 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.529 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t -107.46 143.08 36.32 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.089 0.471 . . . . 0.0 110.523 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.09 -36.31 77.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.411 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.64 -42.45 96.96 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.753 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -66.88 -39.32 87.47 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.668 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.0 m -61.53 -43.13 99.42 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.405 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.5 -38.37 80.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.716 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.7 ttm -59.9 -43.33 94.89 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 120.998 0.428 . . . . 0.0 112.124 -178.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.96 -31.15 66.59 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.262 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.6 m -56.15 -37.43 69.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.356 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.4 mt -63.0 -41.16 99.51 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.053 -1.059 . . . . 0.0 110.559 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.442 HD11 HG21 ' A' ' 12' ' ' ILE . 77.0 mt -64.99 -45.09 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.031 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -60.55 -41.13 93.9 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.896 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.416 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 27.4 m -73.73 -38.68 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.469 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 19' ' ' SER . 71.1 t80 -62.8 -49.76 73.66 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.491 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -64.18 -47.94 77.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.434 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.05 -52.45 42.04 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.056 -0.658 . . . . 0.0 112.061 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.467 ' CE1' ' OE2' ' A' ' 40' ' ' GLU . 77.5 m80 -62.82 -48.33 79.57 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.519 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 15' ' ' PHE . 20.1 t -61.71 -40.15 94.02 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.959 0.409 . . . . 0.0 110.715 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.587 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . . . -63.04 -37.36 94.82 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.849 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -58.76 -41.31 86.28 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.522 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -126.72 150.3 49.12 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.934 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.04 -163.65 53.9 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.69 137.63 49.93 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.587 ' NZ ' ' O ' ' A' ' 20' ' ' GLY . 65.4 mmtt -61.16 -40.72 94.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.211 0.529 . . . . 0.0 110.078 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -69.42 -33.59 73.2 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -116.06 149.59 38.67 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -176.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -104.32 131.27 51.84 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.0 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -98.79 150.91 21.36 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.669 ' HZ1' ' CB ' ' A' ' 55' ' ' ASP . 59.1 tttt -55.57 -39.16 70.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 118.521 -1.272 . . . . 0.0 110.945 -177.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -56.58 -40.9 76.02 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 118.452 -1.299 . . . . 0.0 108.516 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.522 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.2 mt-10 -66.46 -36.67 83.33 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.337 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.6 tp -66.85 -50.73 61.63 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -60.46 -43.82 96.52 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.576 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.65 -37.74 85.44 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.471 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.6 tt -64.89 -43.93 91.28 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.061 -0.656 . . . . 0.0 110.448 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -68.14 -40.72 82.37 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.155 179.361 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' NE2' ' CB ' ' A' ' 47' ' ' ALA . 62.7 tt0 -63.32 -45.68 90.2 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.426 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.2 m -70.87 -43.35 68.61 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 77.2 mm-40 -74.62 -32.33 62.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.452 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 13.6 tp -97.98 140.31 32.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.11 0.481 . . . . 0.0 111.171 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.605 ' C ' ' H ' ' A' ' 44' ' ' PHE . 87.6 p -54.29 -24.49 19.23 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.591 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -46.42 -9.7 0.03 OUTLIER Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.605 ' H ' ' C ' ' A' ' 42' ' ' SER . 46.4 t80 -47.66 -42.19 24.04 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.97 -35.21 79.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.205 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.693 ' C ' ' H ' ' A' ' 48' ' ' GLN . 28.4 p30 -90.12 13.17 15.73 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.287 -178.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.436 ' CB ' ' NE2' ' A' ' 38' ' ' GLN . . . -56.47 20.26 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.693 ' H ' ' C ' ' A' ' 46' ' ' ASP . 93.2 mt-30 -60.55 162.09 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -48.85 -18.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -55.37 -34.79 64.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.033 0.444 . . . . 0.0 110.164 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.419 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 17.9 m -58.39 -10.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.335 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.7 p30 -58.63 -30.34 67.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.887 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.654 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -57.66 -27.19 62.63 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.673 0.749 . . . . 0.0 109.292 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 6.1 p -51.86 -36.79 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.669 ' CB ' ' HZ1' ' A' ' 30' ' ' LYS . 54.7 t0 -60.72 -42.06 96.52 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.59 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.43 -38.04 89.62 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.499 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 m -68.61 -29.49 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.946 -178.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.0 mmm -55.51 -39.39 70.45 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.818 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -62.02 -43.28 99.18 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.007 -0.677 . . . . 0.0 111.099 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.33 -42.35 88.31 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 62' ' ' ASP . 0.6 OUTLIER -78.11 -36.95 47.36 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.307 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.49 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 63.6 t0 -87.67 110.47 20.44 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.308 -179.235 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.04 -33.49 75.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.366 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -56.77 -38.9 73.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.857 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.21 4.86 64.74 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 108.209 -1.957 . . . . 0.0 108.209 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.658 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.9 p30 -63.31 -33.97 76.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.379 -0.91 . . . . 0.0 112.899 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.658 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.65 0.36 64.61 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 109.724 -1.351 . . . . 0.0 109.724 -178.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -109.32 152.46 25.25 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.1 t -108.66 132.6 56.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.57 0.7 . . . . 0.0 111.576 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -101.97 159.32 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -52.12 -42.32 63.2 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.997 -1.081 . . . . 0.0 109.721 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -59.73 -41.38 90.78 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.689 178.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.484 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 96.6 mt-10 -68.37 -39.53 81.73 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.523 0.678 . . . . 0.0 111.107 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -63.75 -45.19 90.96 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.096 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 76' ' ' VAL . 2.5 p -60.34 -38.85 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.691 -178.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.401 ' N ' HG12 ' A' ' 75' ' ' VAL . 32.6 m -75.57 -33.4 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 120.142 -0.623 . . . . 0.0 109.692 178.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.7 tt -59.65 -42.44 92.8 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.6 m -72.27 -31.07 37.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 C-N-CA 120.276 -0.569 . . . . 0.0 111.265 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.25 80.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.644 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.71 90.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.594 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.52 -35.33 80.54 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.043 0.449 . . . . 0.0 110.171 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.4 m -52.91 -36.78 60.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.559 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.2 t -58.47 -35.95 56.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.229 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.3 79.8 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.266 -0.573 . . . . 0.0 110.428 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.0 tpt -57.22 -39.5 75.59 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -59.79 -41.5 91.29 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.64 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -61.38 -44.05 97.82 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.795 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.6 -36.42 83.67 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.708 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -53.48 -39.22 64.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.947 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.54 -34.95 62.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.566 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.58 -32.71 72.82 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.579 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.22 137.12 42.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.593 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -107.39 143.12 36.15 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.119 0.485 . . . . 0.0 110.556 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.05 -36.4 77.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.427 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.52 -42.41 96.38 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.846 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -66.93 -39.41 87.34 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.597 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.4 m -61.46 -43.12 99.43 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.478 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.49 -38.47 81.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.657 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 46.6 ttm -59.85 -43.31 94.72 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.84 -31.24 66.46 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.324 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.8 m -56.05 -37.61 69.49 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.289 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.83 -41.33 99.28 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 119.046 -1.062 . . . . 0.0 110.522 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.91 -44.99 96.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.103 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -60.5 -41.25 93.95 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.881 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.434 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 27.1 m -73.76 -38.65 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.445 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' B' ' 19' ' ' SER . 71.1 t80 -62.83 -49.73 73.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.511 178.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -64.07 -47.94 78.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.461 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.08 -52.5 41.24 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 120.099 -0.64 . . . . 0.0 112.04 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.47 ' CE1' ' OE2' ' B' ' 40' ' ' GLU . 77.5 m80 -62.8 -48.29 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.571 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' B' ' 15' ' ' PHE . 20.0 t -61.73 -40.13 93.99 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.02 0.438 . . . . 0.0 110.745 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.586 ' O ' ' NZ ' ' B' ' 25' ' ' LYS . . . -63.15 -37.25 94.61 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.824 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -58.75 -41.32 86.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.524 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -126.72 150.36 49.1 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.916 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.98 -163.68 53.84 Favored Glycine 0 C--N 1.333 0.4 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.73 137.65 49.87 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.586 ' NZ ' ' O ' ' B' ' 20' ' ' GLY . 65.3 mmtt -61.23 -40.66 94.86 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.078 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -69.51 -33.49 72.91 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -116.04 149.58 38.67 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -104.32 131.28 51.83 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.975 177.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.5 t -98.81 150.93 21.36 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.659 ' HZ1' ' CB ' ' B' ' 55' ' ' ASP . 59.1 tttt -55.54 -39.23 70.31 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 118.529 -1.269 . . . . 0.0 110.923 -177.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -56.56 -40.99 76.11 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 118.419 -1.312 . . . . 0.0 108.55 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.524 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.2 mt-10 -66.29 -36.75 83.77 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.366 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 16.8 tp -66.83 -50.73 61.64 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -60.46 -43.85 96.47 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.598 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.56 -37.82 85.78 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.474 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.79 -43.94 91.57 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.524 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.459 HD22 ' N ' ' B' ' 37' ' ' LEU . 0.5 OUTLIER -68.18 -40.73 82.16 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.162 179.385 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.439 ' NE2' ' CB ' ' B' ' 47' ' ' ALA . 62.5 tt0 -63.23 -45.7 90.41 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.484 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 46.9 m -70.8 -43.37 68.8 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.47 ' OE2' ' CE1' ' B' ' 18' ' ' HIS . 77.3 mm-40 -74.61 -32.4 62.31 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.463 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 13.7 tp -97.88 140.4 32.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.095 0.474 . . . . 0.0 111.218 -177.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.593 ' C ' ' H ' ' B' ' 44' ' ' PHE . 87.8 p -54.38 -24.54 20.06 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.565 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -46.36 -9.7 0.03 OUTLIER Glycine 0 CA--C 1.522 0.516 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 178.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.593 ' H ' ' C ' ' B' ' 42' ' ' SER . 46.4 t80 -47.75 -42.14 24.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.91 -35.24 79.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.207 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.689 ' C ' ' H ' ' B' ' 48' ' ' GLN . 28.6 p30 -90.17 13.15 15.86 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.27 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.439 ' CB ' ' NE2' ' B' ' 38' ' ' GLN . . . -56.49 20.26 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.689 ' H ' ' C ' ' B' ' 46' ' ' ASP . 93.1 mt-30 -60.52 162.01 6.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.196 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -48.75 -18.82 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.22 -34.95 64.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.09 0.471 . . . . 0.0 110.229 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.425 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 18.0 m -58.31 -10.95 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.317 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.657 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.7 p30 -58.6 -30.3 67.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.839 179.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.657 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.7 -27.28 62.79 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-O 121.586 0.707 . . . . 0.0 109.239 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.425 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 6.1 p -51.74 -36.75 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.659 ' CB ' ' HZ1' ' B' ' 30' ' ' LYS . 54.8 t0 -60.72 -42.23 96.86 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.497 178.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.24 -38.12 89.92 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.508 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 m -68.71 -29.45 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.927 -177.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 93.1 mmm -55.49 -39.38 70.37 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.827 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -62.02 -43.37 98.98 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.971 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.35 -42.34 88.22 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' B' ' 62' ' ' ASP . 0.6 OUTLIER -78.07 -37.07 47.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.316 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.491 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 63.6 t0 -87.6 110.51 20.43 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.303 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.17 -33.38 75.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.348 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -56.78 -38.95 73.23 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.84 -178.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.26 4.84 64.94 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.9 p30 -63.45 -33.8 76.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.398 -0.901 . . . . 0.0 112.925 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.654 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.63 0.33 64.68 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -178.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -109.35 152.42 25.32 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.9 t -108.58 132.61 56.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.438 0.637 . . . . 0.0 111.555 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -101.97 159.26 15.52 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -52.13 -42.27 63.2 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 118.988 -1.085 . . . . 0.0 109.712 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -59.64 -41.45 90.5 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.748 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.48 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 96.7 mt-10 -68.59 -39.36 80.97 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.486 0.66 . . . . 0.0 111.016 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -63.81 -45.15 90.96 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.414 HG12 ' N ' ' B' ' 76' ' ' VAL . 2.4 p -60.35 -38.83 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.679 -178.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.414 ' N ' HG12 ' B' ' 75' ' ' VAL . 32.6 m -75.62 -33.37 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.642 178.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.7 tt -59.73 -42.4 93.05 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 22.7 m -72.25 -31.08 37.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.293 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.29 80.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.611 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.66 90.84 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.625 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.51 -35.33 80.56 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.075 0.464 . . . . 0.0 110.2 178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 86.6 m -52.93 -36.74 60.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.644 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.1 t -58.49 -35.98 57.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.151 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.33 79.95 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.437 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.16 -39.49 75.36 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -59.68 -41.62 91.09 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.694 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -61.32 -44.04 97.87 Favored 'General case' 0 N--CA 1.458 -0.051 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.785 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.68 -36.3 83.24 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.762 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -53.56 -39.17 64.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.984 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.47 -35.02 62.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.595 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.66 -32.57 72.74 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.577 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.3 137.05 42.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.593 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.557 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.503 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 54.6 p -69.75 162.26 28.14 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.954 0.407 . . . . 0.0 110.577 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.58 -36.23 78.01 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.941 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.65 -42.22 96.55 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.916 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.38 -39.17 88.92 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.95 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.4 m -62.6 -42.47 99.59 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.291 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.74 -37.71 85.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.301 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.3 ttm -59.44 -42.77 92.68 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.17 0.51 . . . . 0.0 111.532 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.89 -31.16 66.47 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.24 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.0 m -55.94 -37.27 68.74 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.314 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.57 -41.47 98.95 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.401 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.0 mt -65.32 -43.6 94.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.806 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -59.48 -42.95 93.26 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.786 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -73.79 -38.28 50.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.848 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -62.42 -49.11 76.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.363 0.602 . . . . 0.0 110.127 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.667 ' CD2' ' HZ2' ' A' ' 25' ' ' LYS . 21.4 t-80 -64.13 -49.09 73.56 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.496 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.69 -48.67 71.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.248 -0.581 . . . . 0.0 112.047 -178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -64.13 -46.73 82.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.931 -0.708 . . . . 0.0 111.074 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -60.79 -40.94 94.47 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.352 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.44 -40.43 98.82 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.117 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -60.02 -40.05 87.98 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.7 mt-10 -121.54 153.08 38.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.061 0.458 . . . . 0.0 111.912 -178.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.2 -164.5 1.46 Allowed Glycine 0 C--N 1.331 0.297 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -71.83 135.82 46.79 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.667 ' HZ2' ' CD2' ' A' ' 16' ' ' HIS . 42.3 tttm -60.28 -40.59 90.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.215 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -65.98 -32.58 74.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.266 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -116.02 146.15 42.4 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.638 0.732 . . . . 0.0 112.828 -178.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.9 tp -107.3 131.15 54.53 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.458 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.1 m -104.57 150.62 24.47 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HZ3' ' CG ' ' A' ' 34' ' ' LYS . 26.1 tttm -57.02 -36.54 70.57 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 118.72 -1.192 . . . . 0.0 109.895 -178.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -55.53 -40.67 72.13 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 118.947 -1.101 . . . . 0.0 108.23 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 96.7 mt-10 -65.92 -37.5 86.25 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.5 tp -62.69 -45.69 91.59 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.988 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' CG ' ' HZ3' ' A' ' 30' ' ' LYS . 85.7 mttt -60.23 -42.4 95.16 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.508 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.65 -42.35 95.5 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.86 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.6 tp -66.72 -44.19 82.28 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.065 -0.654 . . . . 0.0 112.045 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.49 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -68.59 -42.46 78.19 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.416 -179.613 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -64.45 -40.88 96.57 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.187 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.24 -43.24 74.42 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.493 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 76.9 mm-40 -75.52 -33.8 60.76 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.611 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -95.52 143.57 26.72 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.667 0.746 . . . . 0.0 112.821 -178.757 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.589 ' C ' ' H ' ' A' ' 44' ' ' PHE . 86.6 p -58.43 -24.42 60.14 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 177.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.568 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -45.6 -11.21 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.958 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.589 ' H ' ' C ' ' A' ' 42' ' ' SER . 56.7 t80 -46.4 -38.88 9.57 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.346 -0.941 . . . . 0.0 109.078 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 2.9 mm? -59.83 -31.93 70.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.516 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.568 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 27.3 p30 -82.27 15.77 2.29 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.064 0.459 . . . . 0.0 110.032 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -53.92 -21.61 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.54 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.515 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.6 mt-30 -51.69 -157.84 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.236 0.541 . . . . 0.0 111.686 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -55.5 -23.6 26.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.541 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -51.92 -34.45 41.64 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.409 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 42.6 t -51.82 -38.4 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.237 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -53.39 -34.52 58.0 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.914 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.96 -28.38 62.2 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.058 0.456 . . . . 0.0 110.16 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.409 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 4.8 p -54.0 -35.97 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -63.22 -42.1 99.22 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.718 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -63.67 -42.9 97.99 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.923 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.7 m -75.49 -30.48 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.331 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.3 ttt -55.95 -44.02 78.04 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-O 121.504 0.669 . . . . 0.0 110.136 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 62' ' ' ASP . 49.8 mtmt -61.85 -38.51 88.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.524 179.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.3 -42.46 99.38 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.884 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.89 -39.91 83.6 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.026 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.608 ' OD2' ' N ' ' A' ' 65' ' ' GLY . 21.3 t70 -94.52 121.36 36.0 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -178.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.77 -31.73 72.88 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.697 176.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.584 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -86.97 3.13 47.06 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.189 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.608 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 93.24 -3.56 72.86 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.545 ' OD1' ' OE1' ' A' ' 73' ' ' GLU . 1.8 t0 55.85 41.22 30.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 178.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.65 -37.32 60.92 Favored Glycine 0 C--N 1.312 -0.756 0 C-N-CA 117.333 -2.365 . . . . 0.0 107.928 177.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -121.89 144.74 48.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.7 t -110.58 133.27 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 120.04 -0.664 . . . . 0.0 111.651 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -103.19 157.36 17.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.274 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -53.71 -41.18 66.7 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.379 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -57.08 -40.54 77.13 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.041 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.545 ' OE1' ' OD1' ' A' ' 66' ' ' ASP . 97.4 mt-10 -67.45 -38.36 84.35 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.235 178.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -63.17 -45.23 92.79 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.5 p -60.41 -39.23 80.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.064 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.4 m -76.27 -33.65 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.087 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.59 -41.04 96.85 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.977 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.1 m -72.0 -31.96 42.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-O 121.379 0.609 . . . . 0.0 110.657 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.39 76.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.913 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.67 -44.3 94.18 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.385 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.63 -36.57 84.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.082 0.468 . . . . 0.0 110.055 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.5 m -53.32 -37.11 61.98 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.555 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.8 t -58.81 -35.46 56.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.294 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.51 77.84 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.498 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpt -58.64 -42.09 87.52 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -59.81 -40.6 88.96 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.129 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -59.69 -41.1 89.94 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.148 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.18 -46.12 90.35 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -57.39 -34.47 68.9 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.492 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.455 ' O ' ' OXT' ' A' ' 93' ' ' SER . 71.6 t-105 -54.73 -33.63 61.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.88 -33.45 66.89 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.541 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -55.5 -34.51 64.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.558 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.455 ' OXT' ' O ' ' A' ' 90' ' ' TRP . 28.9 p . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.576 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.493 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 54.6 p -69.79 162.23 28.26 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.946 0.403 . . . . 0.0 110.547 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.61 -36.2 78.01 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.97 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 38.6 tp -60.65 -42.21 96.54 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.914 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.35 -39.18 89.01 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 120.163 -0.615 . . . . 0.0 109.94 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.4 m -62.63 -42.5 99.63 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.301 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.71 -37.76 85.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.283 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 47.2 ttm -59.34 -42.76 92.23 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.178 0.513 . . . . 0.0 111.567 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.96 -31.19 66.62 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.189 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.4 m -55.84 -37.32 68.56 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.324 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.5 mt -62.6 -41.38 98.94 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.452 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.32 -43.58 94.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.862 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -59.56 -42.97 93.62 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.773 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -73.73 -38.3 50.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.833 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -62.37 -49.11 76.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.325 0.583 . . . . 0.0 110.123 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.663 ' CD2' ' HZ2' ' B' ' 25' ' ' LYS . 21.5 t-80 -64.07 -49.17 73.35 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.484 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -48.68 71.25 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.262 -0.575 . . . . 0.0 112.006 -178.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -64.17 -46.72 82.75 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.055 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.9 t -60.82 -40.9 94.48 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.381 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.44 -40.44 98.82 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 121.228 -0.511 . . . . 0.0 112.091 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -59.97 -40.16 88.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.444 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.7 mt-10 -121.4 153.09 38.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 111.977 -178.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.26 -164.58 1.48 Allowed Glycine 0 CA--C 1.519 0.336 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.75 135.8 46.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.663 ' HZ2' ' CD2' ' B' ' 16' ' ' HIS . 42.3 tttm -60.17 -40.79 91.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -65.88 -32.55 74.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.263 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -115.99 146.14 42.38 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.62 0.724 . . . . 0.0 112.81 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.0 tp -107.32 131.14 54.56 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 114.946 -1.025 . . . . 0.0 108.479 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m -104.55 150.68 24.42 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.409 ' HZ3' ' CG ' ' B' ' 34' ' ' LYS . 26.2 tttm -57.08 -36.49 70.64 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 118.697 -1.201 . . . . 0.0 109.9 -178.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -55.55 -40.71 72.26 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 118.904 -1.119 . . . . 0.0 108.16 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.444 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 96.7 mt-10 -65.85 -37.5 86.35 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 23.5 tp -62.57 -45.72 91.64 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.092 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.409 ' CG ' ' HZ3' ' B' ' 30' ' ' LYS . 85.8 mttt -60.29 -42.38 95.36 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.513 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.65 -42.36 95.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.888 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 38.5 tp -66.72 -44.24 82.13 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.016 -0.674 . . . . 0.0 112.063 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.6 OUTLIER -68.48 -42.59 78.45 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.39 -179.592 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -64.26 -40.92 96.98 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.096 -1.042 . . . . 0.0 111.298 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.6 m -69.23 -43.3 74.31 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.503 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 76.9 mm-40 -75.38 -33.88 61.05 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.612 ' N ' ' CD2' ' B' ' 41' ' ' LEU . 0.4 OUTLIER -95.37 143.66 26.55 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.673 0.749 . . . . 0.0 112.823 -178.807 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.59 ' C ' ' H ' ' B' ' 44' ' ' PHE . 86.8 p -58.56 -24.41 60.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.575 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -45.65 -11.12 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 114.25 -1.341 . . . . 0.0 109.912 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.59 ' H ' ' C ' ' B' ' 42' ' ' SER . 56.9 t80 -46.54 -38.86 10.0 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.95 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.497 ' N ' ' CD2' ' B' ' 45' ' ' LEU . 2.8 mm? -59.79 -32.01 70.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.511 178.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.575 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 27.4 p30 -82.27 15.86 2.26 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.079 0.466 . . . . 0.0 110.006 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -53.98 -21.48 8.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.587 -178.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.515 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.7 mt-30 -51.77 -157.87 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.206 0.527 . . . . 0.0 111.702 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -55.43 -23.59 25.98 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.523 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -52.02 -34.39 42.79 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 42.9 t -51.83 -38.38 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.295 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.46 -34.47 58.02 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.946 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -28.33 62.1 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.175 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.416 ' CG1' ' O ' ' B' ' 51' ' ' VAL . 4.8 p -54.05 -35.91 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -63.13 -42.13 99.44 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.782 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -63.68 -42.87 97.98 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.947 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.7 m -75.45 -30.45 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.409 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.3 ttt -55.92 -44.06 77.95 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.625 0.726 . . . . 0.0 110.151 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' B' ' 62' ' ' ASP . 49.7 mtmt -61.93 -38.56 88.89 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.438 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.17 -42.56 99.39 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.903 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.8 -39.93 83.97 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.988 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.602 ' OD2' ' N ' ' B' ' 65' ' ' GLY . 21.2 t70 -94.59 121.35 36.06 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.71 -31.79 72.98 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.688 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.582 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -86.94 3.02 47.41 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -177.103 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.602 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 93.32 -3.74 72.83 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.542 ' N ' ' ND2' ' B' ' 64' ' ' ASN . 1.8 t0 55.99 41.11 30.17 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.62 -37.35 60.85 Favored Glycine 0 C--N 1.311 -0.812 0 C-N-CA 117.355 -2.355 . . . . 0.0 107.878 177.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -121.86 144.8 48.63 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.7 t -110.62 133.37 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.612 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -103.24 157.46 17.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.211 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -53.81 -41.22 67.1 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.33 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -56.9 -40.7 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.117 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.527 ' OE1' ' OD1' ' B' ' 66' ' ' ASP . 97.4 mt-10 -67.39 -38.39 84.61 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.15 178.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -63.26 -45.11 93.03 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.402 HG11 ' N ' ' B' ' 76' ' ' VAL . 3.4 p -60.59 -39.14 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 119.88 -0.728 . . . . 0.0 111.04 -178.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.402 ' N ' HG11 ' B' ' 75' ' ' VAL . 28.5 m -76.23 -33.72 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.086 178.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.56 -41.03 96.79 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.01 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 22.1 m -72.03 -31.91 41.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.408 0.623 . . . . 0.0 110.701 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.26 76.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.984 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.27 93.92 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.327 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.7 -36.52 83.85 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.071 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.3 m -53.23 -37.16 61.81 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.67 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.0 t -58.8 -35.53 56.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.293 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.43 77.57 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.561 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpt -58.65 -42.14 87.67 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -59.79 -40.56 88.73 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.166 177.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -59.69 -41.05 89.86 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.179 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.23 -46.03 90.69 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -57.43 -34.52 69.03 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.53 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.456 ' O ' ' OXT' ' B' ' 93' ' ' SER . 71.6 t-105 -54.73 -33.74 61.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.74 -33.43 66.55 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -55.57 -34.5 64.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.456 ' OXT' ' O ' ' B' ' 90' ' ' TRP . 29.5 p . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.647 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 C--O 1.236 0.383 0 CA-C-O 121.116 0.484 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.98 -35.69 75.56 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.408 HD23 ' C ' ' A' ' 4' ' ' LEU . 9.5 tt -61.27 -41.23 96.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.568 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.87 -39.26 90.55 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.038 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.6 m -61.59 -42.92 99.55 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.215 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -67.14 -36.42 81.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.475 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.682 ' CG ' HG23 ' B' ' 82' ' ' THR . 46.1 ttm -59.84 -43.39 94.63 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.876 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.69 -32.4 67.31 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.314 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.8 m -57.36 -36.37 71.12 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.69 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 mt -61.85 -42.14 98.69 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.231 -0.988 . . . . 0.0 111.394 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.9 mt -65.96 -45.94 89.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.124 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -60.31 -43.25 96.52 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.627 -0.429 . . . . 0.0 112.114 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 15' ' ' PHE . 18.0 m -72.57 -40.3 62.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.575 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.418 ' N ' HG23 ' A' ' 14' ' ' VAL . 67.1 t80 -61.76 -47.06 86.88 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.945 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.35 -46.8 84.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.324 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.89 -52.74 47.51 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.114 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.517 ' CG ' HD13 ' A' ' 36' ' ' LEU . 53.3 m80 -62.71 -45.65 91.75 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.659 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 t -60.55 -40.51 91.83 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.041 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.45 -37.16 94.09 Favored Glycine 0 CA--C 1.524 0.628 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.554 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.81 -41.86 87.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.507 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -128.85 145.25 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.551 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.16 -164.32 54.91 Favored Glycine 0 C--N 1.331 0.288 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.86 137.57 47.61 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -61.59 -38.98 89.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 110.91 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -66.5 -34.69 78.49 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.53 147.72 48.21 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 tp -106.51 124.86 50.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.768 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -83.82 159.72 21.34 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.174 -0.61 . . . . 0.0 109.615 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -58.37 -39.17 78.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 119.634 -0.827 . . . . 0.0 110.138 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -58.03 -42.42 85.27 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.835 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.507 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 97.9 mt-10 -66.51 -38.79 87.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.917 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.409 HD21 HD13 ' A' ' 77' ' ' LEU . 32.8 tp -64.78 -43.89 91.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.823 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -60.29 -46.0 91.37 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.004 0.43 . . . . 0.0 110.93 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.05 -39.91 93.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.726 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.517 HD13 ' CG ' ' A' ' 18' ' ' HIS . 48.4 tp -61.34 -51.86 67.05 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.356 -0.538 . . . . 0.0 112.285 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.9 -37.64 72.97 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.082 -0.647 . . . . 0.0 112.512 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.455 ' NE2' ' HB1' ' A' ' 47' ' ' ALA . 63.2 tt0 -61.73 -46.24 90.5 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 118.923 -1.111 . . . . 0.0 111.122 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.2 m -75.76 -48.45 21.72 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -76.68 -33.19 58.26 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.972 HD23 ' H ' ' A' ' 43' ' ' GLY . 5.1 tt -96.98 143.31 27.96 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.332 0.587 . . . . 0.0 110.604 -177.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.584 ' O ' ' N ' ' A' ' 44' ' ' PHE . 25.6 t -49.2 -24.81 1.9 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.721 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.972 ' H ' HD23 ' A' ' 41' ' ' LEU . . . -44.41 -11.59 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.584 ' N ' ' O ' ' A' ' 42' ' ' SER . 65.8 t80 -49.29 -40.83 36.21 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.94 -35.76 71.57 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' GLY . 88.8 m-20 -80.42 9.4 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.359 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.517 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -58.09 -24.92 60.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.519 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.64 ' O ' HG12 ' A' ' 51' ' ' VAL . 93.8 mt-30 -53.22 -157.4 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -57.04 -27.63 61.83 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.508 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.77 -34.6 62.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.125 0.488 . . . . 0.0 109.743 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 48' ' ' GLN . 5.3 p -52.93 -29.73 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.933 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.31 -35.37 62.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.68 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.63 -27.83 59.23 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.078 0.466 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.9 p -52.61 -37.74 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.17 -41.45 97.12 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 119.624 -0.83 . . . . 0.0 110.159 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.95 -40.3 97.27 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.5 m -71.61 -31.67 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 119.779 -0.768 . . . . 0.0 112.023 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.4 mmm -58.35 -37.32 74.94 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.786 -0.365 . . . . 0.0 111.693 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.27 -44.42 95.35 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.873 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.63 -40.5 84.63 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.882 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.45 -36.62 81.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.765 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.529 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 42.7 t0 -85.93 105.42 16.39 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.529 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.16 -37.43 83.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.52 0.676 . . . . 0.0 109.376 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -58.84 -37.49 76.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.191 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.62 6.89 88.86 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 107.994 -2.042 . . . . 0.0 107.994 -177.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.2 p30 -63.13 -33.78 76.2 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 114.218 -0.991 . . . . 0.0 112.942 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.46 -3.98 66.39 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.496 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 95.7 mt-10 -111.23 154.09 24.92 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.8 m -124.37 149.69 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-O 122.18 0.99 . . . . 0.0 112.862 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -106.86 166.49 10.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 113.55 -1.659 . . . . 0.0 108.351 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -51.34 -41.49 60.63 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.784 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.481 ' O ' HG12 ' A' ' 75' ' ' VAL . 51.3 tt0 -59.63 -42.7 93.31 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.574 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.457 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.7 mt-10 -68.68 -38.15 80.12 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.465 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -62.21 -44.89 95.56 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.394 -0.821 . . . . 0.0 113.16 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.6 p -60.5 -39.26 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 119.846 -0.741 . . . . 0.0 111.126 -178.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 73' ' ' GLU . 30.4 m -75.73 -33.47 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.838 178.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.409 HD13 HD21 ' A' ' 33' ' ' LEU . 9.5 tt -60.89 -42.45 98.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.7 m -73.52 -32.34 35.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.833 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.33 87.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.066 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.19 95.43 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.912 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.35 -36.04 82.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.432 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.683 HG23 ' CG ' ' B' ' 8' ' ' MET . 68.7 m -52.84 -38.35 61.33 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.818 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 80.1 t -60.24 -35.51 62.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.25 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.89 -38.92 90.13 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.887 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.403 ' HE1' HD12 ' B' ' 12' ' ' ILE . 10.2 ttp -59.74 -38.91 83.05 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 119.627 -0.829 . . . . 0.0 108.825 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -58.33 -41.87 85.55 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.258 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -60.81 -41.63 96.07 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.487 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.65 -41.03 94.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.413 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -52.96 -39.06 62.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.015 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.32 -35.62 62.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.473 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.98 -33.07 73.64 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.547 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.569 ' O ' ' CB ' ' A' ' 93' ' ' SER . 26.9 t30 -102.0 128.38 48.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.431 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.711 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.592 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -69.72 163.08 26.48 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.128 0.489 . . . . 0.0 110.705 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.91 -35.7 75.44 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.416 ' C ' HD23 ' B' ' 4' ' ' LEU . 9.6 tt -61.36 -41.13 96.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.197 -0.601 . . . . 0.0 109.603 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.87 -39.27 90.54 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.071 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.4 m -61.6 -42.94 99.59 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.215 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -67.09 -36.43 81.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.509 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.683 ' CG ' HG23 ' A' ' 82' ' ' THR . 46.1 ttm -59.8 -43.41 94.48 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.852 -178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.71 -32.41 67.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.325 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.8 m -57.32 -36.34 70.99 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.678 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.0 mt -61.97 -42.03 98.67 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 119.241 -0.983 . . . . 0.0 111.434 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.403 HD12 ' HE1' ' A' ' 85' ' ' MET . 74.0 mt -66.01 -45.94 89.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.123 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -60.28 -43.27 96.37 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.553 -0.459 . . . . 0.0 112.057 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.422 HG23 ' N ' ' B' ' 15' ' ' PHE . 18.0 m -72.62 -40.26 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.563 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.422 ' N ' HG23 ' B' ' 14' ' ' VAL . 67.1 t80 -61.76 -47.15 86.49 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.973 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.29 -46.72 85.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.348 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.94 -52.65 47.85 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.166 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.519 ' CG ' HD13 ' B' ' 36' ' ' LEU . 53.3 m80 -62.76 -45.73 91.35 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.62 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.7 t -60.43 -40.63 91.78 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.379 -0.529 . . . . 0.0 110.022 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.38 -37.22 94.19 Favored Glycine 0 CA--C 1.523 0.588 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.561 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.81 -41.78 87.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.499 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -128.85 145.26 51.25 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.573 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.19 -164.42 54.91 Favored Glycine 0 CA--C 1.518 0.251 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -71.83 137.63 47.69 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -61.61 -38.89 89.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.103 0.478 . . . . 0.0 110.905 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -66.62 -34.74 78.55 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -124.48 147.83 48.09 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 tp -106.58 124.77 50.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.55 -1.204 . . . . 0.0 108.851 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.7 p -83.68 159.73 21.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.643 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -58.43 -39.06 78.76 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.559 -0.857 . . . . 0.0 110.171 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -58.11 -42.44 85.75 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.951 -0.699 . . . . 0.0 109.758 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.499 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 97.9 mt-10 -66.47 -38.83 88.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.863 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.408 HD21 HD13 ' B' ' 77' ' ' LEU . 32.8 tp -64.81 -43.83 91.86 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.855 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -60.34 -45.99 91.51 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-O 120.994 0.426 . . . . 0.0 110.9 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.17 -39.77 93.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.754 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.519 HD13 ' CG ' ' B' ' 18' ' ' HIS . 48.3 tp -61.31 -51.87 67.06 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.368 -0.533 . . . . 0.0 112.277 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 42.9 mt -70.97 -37.67 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.02 -0.672 . . . . 0.0 112.392 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -61.67 -46.3 90.33 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 118.869 -1.132 . . . . 0.0 111.094 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.4 m -75.69 -48.5 21.72 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -76.63 -33.14 58.37 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.998 HD23 ' H ' ' B' ' 43' ' ' GLY . 5.1 tt -97.12 143.38 27.99 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.398 0.618 . . . . 0.0 110.549 -177.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.599 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.1 t -49.1 -24.84 1.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.717 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.998 ' H ' HD23 ' B' ' 41' ' ' LEU . . . -44.38 -11.63 0.02 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.599 ' N ' ' O ' ' B' ' 42' ' ' SER . 65.8 t80 -49.33 -40.85 36.72 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 28.8 tp -57.94 -35.83 71.67 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' B' ' 43' ' ' GLY . 88.7 m-20 -80.23 9.26 5.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.509 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -58.09 -24.88 60.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.545 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.653 ' O ' HG12 ' B' ' 51' ' ' VAL . 93.8 mt-30 -53.18 -157.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -57.0 -27.63 61.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.441 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -54.82 -34.57 62.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.119 0.485 . . . . 0.0 109.734 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.653 HG12 ' O ' ' B' ' 48' ' ' GLN . 5.3 p -52.89 -29.7 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.934 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.33 -35.42 62.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.783 0.325 . . . . 0.0 110.654 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.66 -27.84 59.48 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.044 0.449 . . . . 0.0 109.95 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.629 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.9 p -52.64 -37.71 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -64.23 -41.38 97.03 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.113 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.97 -40.32 97.35 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.4 HG22 ' O ' ' B' ' 54' ' ' VAL . 10.4 m -71.57 -31.66 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 119.778 -0.769 . . . . 0.0 112.028 -178.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.4 mmm -58.36 -37.3 74.92 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.793 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.37 -44.3 95.73 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.842 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.67 -40.57 84.44 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.83 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 76.9 mt -67.42 -36.6 81.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.856 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.535 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 42.7 t0 -86.0 105.45 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.575 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.16 -37.32 83.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.468 0.651 . . . . 0.0 109.441 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -58.84 -37.54 76.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.072 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.49 7.03 88.78 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 108.015 -2.034 . . . . 0.0 108.015 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.2 p30 -63.1 -33.88 76.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 114.174 -1.013 . . . . 0.0 112.979 -179.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.6 -4.02 66.08 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.5 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 95.7 mt-10 -111.24 154.17 24.82 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 32.5 m -124.46 149.77 28.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 122.075 0.941 . . . . 0.0 112.786 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -106.98 166.56 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.276 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -51.24 -41.61 60.46 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.436 -0.906 . . . . 0.0 109.769 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.479 ' O ' HG12 ' B' ' 75' ' ' VAL . 51.2 tt0 -59.66 -42.71 93.45 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.482 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.457 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.7 mt-10 -68.72 -38.09 79.97 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 119.609 -0.837 . . . . 0.0 110.422 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -62.22 -44.84 95.66 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.479 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.6 p -60.51 -39.38 81.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.052 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 73' ' ' GLU . 30.1 m -75.63 -33.51 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.755 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.408 HD13 HD21 ' B' ' 33' ' ' LEU . 9.4 tt -60.9 -42.43 98.01 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.047 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.9 m -73.57 -32.32 35.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.752 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.45 87.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.022 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.71 -42.0 95.59 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.99 -0.684 . . . . 0.0 109.967 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 mt -64.4 -36.02 82.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.412 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.682 HG23 ' CG ' ' A' ' 8' ' ' MET . 71.0 m -52.91 -38.34 61.7 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.827 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 78.6 t -60.22 -35.52 62.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.259 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.9 90.11 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.926 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 10.2 ttp -59.73 -38.85 82.82 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.573 -0.851 . . . . 0.0 108.854 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -58.48 -41.67 85.8 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.278 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -60.96 -41.59 96.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.7 -40.99 94.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.327 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -53.03 -39.01 62.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.947 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.38 -35.61 63.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.437 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.04 -32.93 73.49 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.573 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' B' ' 93' ' ' SER . 26.9 t30 -102.16 128.38 48.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.418 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 93' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.748 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 C--O 1.237 0.429 0 CA-C-O 120.977 0.418 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.16 -35.86 78.24 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.9 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.66 -42.76 93.58 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.5 -41.36 93.29 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.569 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -61.55 -42.68 99.19 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.785 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.518 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -67.53 -40.01 85.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.709 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.691 ' CG ' HG23 ' B' ' 82' ' ' THR . 47.4 ttm -60.71 -44.77 96.17 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.1 -32.13 67.8 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.318 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.517 HG21 ' HB2' ' B' ' 7' ' ' ALA . 39.6 m -56.97 -37.07 71.08 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.22 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.1 -41.72 99.44 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.175 -1.01 . . . . 0.0 110.728 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.36 -44.47 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.015 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -60.73 -41.44 95.35 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.849 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.421 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 25.4 m -73.19 -39.28 56.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 C-N-CA 119.735 -0.786 . . . . 0.0 110.307 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -61.19 -47.93 83.89 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.001 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.9 -46.63 86.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.178 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.78 -49.1 69.55 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 120.099 -0.64 . . . . 0.0 112.022 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.578 ' CD2' ' OE2' ' A' ' 40' ' ' GLU . 85.3 m-70 -63.23 -49.03 75.79 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.632 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.539 ' OG ' HD13 ' A' ' 28' ' ' LEU . 19.4 m -62.32 -39.99 94.88 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.058 0.456 . . . . 0.0 111.18 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.21 -35.51 92.17 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-N 115.48 -0.782 . . . . 0.0 113.301 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -58.3 -40.93 83.31 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.538 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -127.44 152.45 47.52 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.923 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.97 -160.42 26.22 Favored Glycine 0 CA--C 1.521 0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.696 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.16 138.36 47.61 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.91 -38.29 85.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.287 0.565 . . . . 0.0 110.469 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -66.82 -32.7 74.15 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -114.99 146.22 41.45 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.733 HD12 ' OE1' ' A' ' 32' ' ' GLU . 12.9 tp -105.24 131.54 52.57 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.33 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.1 t -103.03 148.89 25.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.589 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 38.4 tttt -55.48 -36.92 67.13 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 118.863 -1.135 . . . . 0.0 109.97 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -55.41 -40.72 71.81 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.733 ' OE1' HD12 ' A' ' 28' ' ' LEU . 97.6 mt-10 -66.1 -37.22 85.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 177.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.5 tp -63.34 -46.73 85.28 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.692 -178.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.504 ' CE ' ' NZ ' ' A' ' 30' ' ' LYS . 97.9 mttt -59.7 -44.06 93.84 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 118.055 -1.458 . . . . 0.0 110.341 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.83 -37.21 85.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.433 HD21 ' OE1' ' A' ' 40' ' ' GLU . 8.5 tt -63.7 -44.34 93.96 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -69.69 -42.54 73.98 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.705 179.169 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.82 -43.34 96.52 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 119.395 -0.922 . . . . 0.0 111.908 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.0 m -71.56 -44.18 65.01 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.578 ' OE2' ' CD2' ' A' ' 18' ' ' HIS . 96.4 mt-10 -75.72 -33.21 60.28 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -177.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.642 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.9 tp -101.1 126.71 47.81 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 119.587 -0.845 . . . . 0.0 112.447 -176.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.51 ' C ' ' N ' ' A' ' 44' ' ' PHE . 86.5 p -60.44 -26.64 66.88 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.36 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.642 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -47.98 -13.41 0.2 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.51 ' N ' ' C ' ' A' ' 42' ' ' SER . 88.3 t80 -50.67 -40.15 52.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.278 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.2 tp -57.61 -41.42 81.25 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.187 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -107.6 4.78 26.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 43' ' ' GLY . . . -64.06 -29.25 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.851 ' O ' HG22 ' A' ' 51' ' ' VAL . 93.1 mt-30 -7.58 -98.05 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 41.6 pttt -57.76 -35.23 70.47 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -54.75 -29.44 53.86 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.102 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.851 HG22 ' O ' ' A' ' 48' ' ' GLN . 13.8 m -54.33 -34.9 28.92 Favored 'Isoleucine or valine' 0 C--N 1.337 0.034 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.37 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.9 p30 -59.79 -33.18 71.37 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.445 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.669 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -56.85 -27.14 59.86 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.77 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.0 t -55.41 -40.3 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.0 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.589 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 89.5 m-20 -63.31 -42.6 99.03 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 119.411 -0.916 . . . . 0.0 111.144 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.91 -41.28 97.72 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.3 m -73.56 -34.17 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.26 -38.46 76.97 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.609 -0.837 . . . . 0.0 111.72 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.63 -44.9 96.12 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.915 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -68.21 -43.5 77.88 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.02 -37.57 84.4 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.528 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 45.9 t0 -87.93 104.94 17.1 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.466 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -68.44 -35.51 77.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.503 0.668 . . . . 0.0 109.615 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -59.17 -38.82 80.71 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.103 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.3 6.99 88.96 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 107.94 -2.064 . . . . 0.0 107.94 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.661 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 46.8 p30 -63.13 -33.84 76.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.234 -0.983 . . . . 0.0 113.052 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.661 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.75 -5.44 66.74 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.513 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 96.0 mt-10 -112.19 154.37 25.65 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.4 m -124.6 150.27 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.92 0.867 . . . . 0.0 112.435 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -104.62 163.73 12.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 113.884 -1.507 . . . . 0.0 108.585 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -51.53 -40.95 60.62 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.754 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.482 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.0 tt0 -58.85 -41.76 87.74 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.149 -0.62 . . . . 0.0 111.161 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.3 mt-10 -68.61 -39.06 81.0 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.356 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -63.06 -44.61 95.34 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 72' ' ' GLN . 4.0 p -59.44 -39.24 78.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.616 -178.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 73' ' ' GLU . 34.2 m -75.22 -32.94 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 119.797 -0.761 . . . . 0.0 109.536 177.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.453 HD23 ' C ' ' A' ' 77' ' ' LEU . 10.0 tt -59.19 -42.76 91.64 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.812 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 75' ' ' VAL . 22.2 m -73.7 -32.11 34.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.239 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.17 85.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.333 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.31 95.65 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.049 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 mt -64.62 -35.76 82.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.488 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.68 HG23 ' CG ' ' B' ' 8' ' ' MET . 56.6 m -52.9 -37.3 60.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.695 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.2 t -58.96 -35.78 58.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.277 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.72 -37.16 80.81 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.673 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -59.29 -38.63 80.66 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.606 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -58.09 -44.28 87.55 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.124 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -63.04 -41.21 99.44 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.208 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.598 ' CZ ' ' OE2' ' A' ' 91' ' ' GLU . 67.7 t80 -60.74 -43.8 97.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.725 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -54.29 -36.92 64.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.376 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -52.48 -31.21 33.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.339 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.598 ' OE2' ' CZ ' ' A' ' 88' ' ' PHE . 15.9 pt-20 -58.76 -29.15 66.55 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.37 -178.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -56.07 -34.5 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.516 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.581 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.5 m -63.06 154.01 32.19 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.941 0.401 . . . . 0.0 110.642 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.24 -35.8 78.23 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.929 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.7 -42.66 93.5 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.63 -41.3 92.83 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.439 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -61.6 -42.73 99.28 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.719 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.517 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -67.55 -40.03 84.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.661 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.68 ' CG ' HG23 ' A' ' 82' ' ' THR . 47.4 ttm -60.7 -44.68 96.26 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.26 -32.1 68.05 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.287 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.518 HG21 ' HB2' ' A' ' 7' ' ' ALA . 39.0 m -56.91 -37.15 71.03 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.211 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.13 -41.71 99.36 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.164 -1.014 . . . . 0.0 110.735 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.19 -44.58 95.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.047 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.76 -41.35 95.27 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.847 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.423 ' O ' ' CD2' ' B' ' 18' ' ' HIS . 25.2 m -73.18 -39.38 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.323 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -61.13 -47.84 84.37 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.069 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.02 -46.59 86.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.169 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.86 -48.96 69.82 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.975 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.578 ' CD2' ' OE2' ' B' ' 40' ' ' GLU . 85.5 m-70 -63.33 -49.06 75.43 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.601 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.534 ' OG ' HD13 ' B' ' 28' ' ' LEU . 19.3 m -62.24 -40.05 94.89 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.228 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.15 -35.57 92.26 Favored Glycine 0 CA--C 1.524 0.651 0 CA-C-N 115.392 -0.822 . . . . 0.0 113.252 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -58.3 -40.99 83.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -127.33 152.39 47.53 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.948 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.03 -160.39 26.56 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -72.21 138.4 47.52 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.91 -38.2 84.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.212 0.53 . . . . 0.0 110.518 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -66.92 -32.71 74.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -178.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -114.92 146.05 41.56 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.734 HD12 ' OE1' ' B' ' 32' ' ' GLU . 12.9 tp -105.1 131.45 52.58 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.347 178.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.3 t -102.98 148.86 25.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.587 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 38.5 tttt -55.41 -36.89 66.93 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 118.906 -1.118 . . . . 0.0 109.978 -178.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -55.48 -40.64 71.95 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.734 ' OE1' HD12 ' B' ' 28' ' ' LEU . 97.6 mt-10 -66.18 -37.14 84.91 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.37 -46.65 85.53 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.68 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.498 ' CE ' ' NZ ' ' B' ' 30' ' ' LYS . 98.0 mttt -59.73 -44.11 93.89 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 118.092 -1.443 . . . . 0.0 110.297 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -65.82 -37.25 85.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.021 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.426 HD21 ' OE1' ' B' ' 40' ' ' GLU . 8.5 tt -63.7 -44.32 94.0 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -69.72 -42.59 73.8 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.687 179.193 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.78 -43.36 96.6 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.886 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -71.51 -44.23 65.02 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.578 ' OE2' ' CD2' ' B' ' 18' ' ' HIS . 96.3 mt-10 -75.66 -33.27 60.42 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -177.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.634 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.8 tp -101.03 126.71 47.73 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 119.612 -0.835 . . . . 0.0 112.478 -176.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.513 ' C ' ' H ' ' B' ' 44' ' ' PHE . 86.9 p -60.45 -26.72 66.96 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.344 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.634 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -47.92 -13.39 0.19 Allowed Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.513 ' H ' ' C ' ' B' ' 42' ' ' SER . 88.5 t80 -50.69 -40.1 53.02 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 120.641 -0.423 . . . . 0.0 111.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.7 -41.42 81.64 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.133 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -107.6 4.95 26.47 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' B' ' 43' ' ' GLY . . . -64.15 -29.18 70.31 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -178.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.867 ' O ' HG22 ' B' ' 51' ' ' VAL . 93.2 mt-30 -7.64 -97.99 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 41.6 pttt -57.79 -35.28 70.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.75 -29.4 53.77 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.056 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.867 HG22 ' O ' ' B' ' 48' ' ' GLN . 13.9 m -54.37 -34.86 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.379 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 52.0 p30 -59.8 -33.17 71.38 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.457 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.669 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.01 -26.96 61.16 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.747 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -55.42 -40.37 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.014 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.587 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 89.3 m-20 -63.34 -42.51 98.95 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 119.465 -0.894 . . . . 0.0 111.156 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.96 -41.35 97.6 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 16.2 m -73.59 -34.05 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.36 -38.38 77.13 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.746 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.71 -44.82 96.19 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.945 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -68.25 -43.52 77.68 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.0 -37.59 84.47 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.541 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 45.8 t0 -87.88 104.98 17.11 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.835 -0.746 . . . . 0.0 111.486 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 60.8 mp0 -68.51 -35.5 77.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.452 0.644 . . . . 0.0 109.604 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -59.19 -38.77 80.65 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.117 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.26 6.97 88.96 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.659 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.0 p30 -63.16 -33.74 76.13 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 114.125 -1.038 . . . . 0.0 113.076 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.659 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.75 -5.42 66.73 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.502 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 96.0 mt-10 -112.2 154.4 25.61 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 19.5 m -124.61 150.25 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.965 0.888 . . . . 0.0 112.373 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -104.64 163.72 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 113.892 -1.504 . . . . 0.0 108.525 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -51.51 -41.08 60.75 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.666 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.481 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.0 tt0 -58.74 -41.69 87.07 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.221 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.451 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.4 mt-10 -68.73 -39.01 80.59 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 119.596 -0.841 . . . . 0.0 110.394 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -63.13 -44.63 95.04 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.481 HG12 ' O ' ' B' ' 72' ' ' GLN . 4.0 p -59.5 -39.17 78.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.644 -178.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.451 HG22 ' O ' ' B' ' 73' ' ' GLU . 34.3 m -75.19 -32.99 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.456 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.454 HD23 ' C ' ' B' ' 77' ' ' LEU . 10.0 tt -59.25 -42.77 91.89 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.796 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.403 HG22 ' O ' ' B' ' 75' ' ' VAL . 21.9 m -73.55 -32.25 35.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 121.252 0.548 . . . . 0.0 111.228 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.12 85.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.389 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.32 95.58 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.976 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.2 mt -64.67 -35.76 82.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.324 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.691 HG23 ' CG ' ' A' ' 8' ' ' MET . 56.7 m -52.95 -37.16 60.77 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.727 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.14 -35.65 58.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.291 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.67 -37.18 80.74 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.749 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -59.38 -38.44 80.51 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.61 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -58.26 -44.2 88.25 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.112 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -63.01 -41.24 99.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.216 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.595 ' CZ ' ' OE2' ' B' ' 91' ' ' GLU . 67.6 t80 -60.75 -43.82 97.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.732 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -54.23 -37.01 64.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.315 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -52.53 -31.05 33.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.364 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.595 ' OE2' ' CZ ' ' B' ' 88' ' ' PHE . 15.9 pt-20 -58.91 -29.09 66.8 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.288 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -56.15 -34.37 66.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.571 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.6 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.235 0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.53 -36.28 78.03 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.934 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.12 -42.84 95.62 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.82 -41.85 91.34 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.769 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.1 m -61.89 -42.71 99.39 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.5 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -67.57 -39.46 84.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.557 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.685 ' CG ' HG23 ' B' ' 82' ' ' THR . 47.2 ttm -60.26 -43.64 96.0 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.879 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.34 -31.53 67.66 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.243 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.516 HG21 ' HB2' ' B' ' 7' ' ' ALA . 38.5 m -56.3 -37.36 69.78 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.032 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 mt -62.3 -41.89 98.9 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 118.863 -1.135 . . . . 0.0 110.135 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.39 -41.59 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.078 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -59.92 -44.0 94.56 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.671 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.506 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 24.3 m -74.71 -39.85 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.401 ' CE1' HD22 ' A' ' 28' ' ' LEU . 66.7 t80 -62.97 -49.77 73.4 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.254 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -64.7 -47.66 77.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.51 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.83 61.87 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 119.995 -0.682 . . . . 0.0 111.653 -178.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.602 ' CG ' HD13 ' A' ' 36' ' ' LEU . 77.4 m80 -61.92 -46.2 90.36 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.262 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 t -61.41 -41.46 97.18 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.08 0.467 . . . . 0.0 110.859 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.505 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . . . -63.13 -39.33 97.85 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.966 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -59.96 -42.57 94.37 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.503 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.2 mt-10 -129.59 148.97 51.54 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.855 -179.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.29 -164.92 53.75 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.41 136.81 49.9 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.505 ' NZ ' ' O ' ' A' ' 20' ' ' GLY . 59.9 mmtt -61.04 -40.96 95.6 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.418 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -69.44 -33.1 72.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -117.77 151.85 36.48 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.401 HD22 ' CE1' ' A' ' 15' ' ' PHE . 30.2 tp -101.11 134.67 43.77 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.633 178.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -103.32 150.66 23.55 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.486 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 68.1 tttt -56.73 -36.96 70.34 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.381 -0.927 . . . . 0.0 110.421 -178.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.61 -41.29 73.24 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 118.77 -1.172 . . . . 0.0 107.941 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.503 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 47.7 mt-10 -67.2 -37.69 84.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 120.161 -0.616 . . . . 0.0 109.932 177.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.7 tp -64.59 -48.14 76.06 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.531 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -60.95 -45.86 93.04 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.913 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.85 -39.14 93.09 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.283 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.71 HD11 ' OE2' ' A' ' 40' ' ' GLU . 34.1 tp -63.99 -47.1 81.66 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.43 -0.508 . . . . 0.0 112.121 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -70.45 -41.48 72.77 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.816 179.552 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.94 -43.02 97.13 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.744 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.5 m -71.38 -44.16 65.51 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.71 ' OE2' HD11 ' A' ' 36' ' ' LEU . 97.1 mt-10 -75.74 -32.65 60.09 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -177.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.591 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 17.3 tp -99.53 126.39 45.48 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 119.78 -0.768 . . . . 0.0 112.725 -176.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' PHE . 22.8 t -57.78 -31.38 66.48 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.77 178.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.591 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -46.26 -14.97 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 42' ' ' SER . 87.2 t80 -51.18 -39.34 56.2 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.049 -0.661 . . . . 0.0 111.51 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.11 -39.97 76.12 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.638 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.52 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 43.9 p30 -97.01 10.51 39.05 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.557 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -60.01 -37.63 80.28 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.732 -178.26 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.557 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.9 mt-30 22.14 -145.0 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.598 0.561 . . . . 0.0 111.872 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -59.42 -26.91 65.56 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.083 0.468 . . . . 0.0 109.805 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -54.57 -33.14 59.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.924 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.628 ' O ' HG12 ' A' ' 54' ' ' VAL . 6.4 p -53.13 -31.29 17.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.494 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -54.98 -35.87 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.729 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.62 -27.55 58.5 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.034 0.445 . . . . 0.0 109.858 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.1 p -51.89 -37.5 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.486 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 88.5 m-20 -65.23 -41.57 94.27 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.411 178.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -62.67 -39.84 95.19 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 54' ' ' VAL . 13.7 m -70.76 -30.73 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.049 -178.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.7 mmm -56.68 -38.71 72.6 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.32 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.26 -44.5 97.14 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.881 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -67.74 -43.32 80.22 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.288 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.15 -36.77 82.54 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.52 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 47.9 t0 -85.71 103.9 14.93 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.169 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.01 -35.47 78.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.44 0.638 . . . . 0.0 109.527 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -59.1 -38.75 80.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.599 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.49 4.85 90.09 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 107.849 -2.1 . . . . 0.0 107.849 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.5 p30 -63.74 -33.27 75.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.123 -1.038 . . . . 0.0 112.522 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.32 -2.99 63.58 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -109.1 152.45 25.05 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 t -108.15 133.44 53.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.641 0.734 . . . . 0.0 112.141 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -100.01 159.98 14.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.37 -1.286 . . . . 0.0 107.951 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -51.77 -42.34 62.32 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.095 -1.042 . . . . 0.0 110.001 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.28 -41.52 89.09 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.604 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.453 ' O ' HG22 ' A' ' 76' ' ' VAL . 95.9 mt-10 -68.78 -39.03 80.41 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.321 0.581 . . . . 0.0 110.82 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -63.85 -45.51 89.17 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.452 HG13 ' HB1' ' B' ' 79' ' ' ALA . 3.6 p -60.22 -39.7 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.562 -178.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 73' ' ' GLU . 30.1 m -74.54 -33.29 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.694 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 77' ' ' LEU . 10.0 tt -60.11 -42.1 94.03 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.045 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 75' ' ' VAL . 23.3 m -73.03 -31.77 36.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 120.369 -0.533 . . . . 0.0 111.52 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.445 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -60.86 -37.6 82.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.71 -178.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.86 -43.8 91.79 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.597 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.486 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.3 mp -65.84 -35.09 79.7 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 120.877 0.37 . . . . 0.0 110.368 178.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.681 HG23 ' CG ' ' B' ' 8' ' ' MET . 67.5 m -52.13 -38.63 58.1 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.83 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.81 -35.75 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.595 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.89 94.88 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.15 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 47.9 ttp -60.14 -38.03 81.86 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 119.362 -0.935 . . . . 0.0 108.79 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.72 -42.39 88.6 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.791 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.36 -42.52 98.84 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -60.99 -40.35 93.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.344 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -53.48 -38.98 64.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.903 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -53.92 -34.89 60.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.094 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.19 -33.04 67.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.226 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -102.99 136.79 42.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.409 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.555 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -109.8 147.93 32.39 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.36 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.53 -36.26 77.99 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.9 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.18 -42.8 95.76 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.8 -41.79 91.5 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.837 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -61.8 -42.86 99.54 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.815 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.516 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -67.45 -39.38 85.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.61 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.681 ' CG ' HG23 ' A' ' 82' ' ' THR . 47.2 ttm -60.35 -43.62 96.3 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.877 -178.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.37 -31.52 67.72 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.247 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.5 HG21 ' HB2' ' A' ' 7' ' ' ALA . 38.5 m -56.29 -37.27 69.64 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.101 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 mt -62.4 -41.84 98.98 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.129 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -66.53 -41.48 88.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.039 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.01 -43.91 94.92 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.657 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.514 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 24.6 m -74.71 -39.88 46.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -62.95 -49.79 73.37 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.264 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -64.63 -47.77 77.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.54 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.41 -50.93 61.77 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 120.02 -0.672 . . . . 0.0 111.697 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.601 ' CG ' HD13 ' B' ' 36' ' ' LEU . 77.4 m80 -61.85 -46.25 90.26 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.331 -0.547 . . . . 0.0 111.289 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.6 t -61.37 -41.33 96.92 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.436 ' O ' ' NZ ' ' B' ' 25' ' ' LYS . . . -63.23 -39.27 97.7 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.944 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -59.97 -42.66 94.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.498 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.2 mt-10 -129.51 148.99 51.47 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.808 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.37 -164.99 53.73 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.36 136.72 49.93 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.436 ' NZ ' ' O ' ' B' ' 20' ' ' GLY . 60.0 mmtt -60.91 -41.11 95.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.11 0.481 . . . . 0.0 110.338 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -69.39 -33.13 72.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -117.63 151.78 36.51 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -177.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.6 tp -101.07 134.71 43.67 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 114.488 -1.233 . . . . 0.0 109.699 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -103.35 150.6 23.64 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.508 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 68.0 tttt -56.62 -37.0 70.09 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.485 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.53 -41.4 73.14 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 118.846 -1.141 . . . . 0.0 107.961 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.498 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 47.8 mt-10 -67.16 -37.68 84.18 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.965 177.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.63 -48.25 75.53 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.451 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -60.8 -45.97 92.32 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.945 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.74 -39.07 93.02 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.332 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.7 HD11 ' OE2' ' B' ' 40' ' ' GLU . 34.2 tp -64.11 -47.04 81.53 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.472 -0.491 . . . . 0.0 112.071 -178.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.9 OUTLIER -70.45 -41.61 72.59 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.723 179.599 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.89 -43.04 97.19 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 119.712 -0.795 . . . . 0.0 111.783 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.7 m -71.36 -44.18 65.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.7 ' OE2' HD11 ' B' ' 36' ' ' LEU . 97.2 mt-10 -75.75 -32.61 60.06 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.593 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 17.2 tp -99.56 126.38 45.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 119.763 -0.775 . . . . 0.0 112.692 -176.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.491 ' O ' ' N ' ' B' ' 44' ' ' PHE . 22.7 t -57.77 -31.42 66.5 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.756 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.593 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -46.15 -15.02 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' B' ' 42' ' ' SER . 87.4 t80 -51.13 -39.37 56.1 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.568 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.13 -39.9 76.07 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.607 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.515 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 43.9 p30 -97.15 10.54 39.13 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.556 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -60.03 -37.71 80.6 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.707 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.556 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.9 mt-30 22.14 -145.06 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.554 0.534 . . . . 0.0 111.907 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -59.41 -26.75 65.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.084 0.469 . . . . 0.0 109.87 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.7 -33.15 60.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.917 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.631 ' O ' HG12 ' B' ' 54' ' ' VAL . 6.4 p -53.07 -31.32 17.33 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.489 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.04 -35.74 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.757 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.74 -27.35 59.15 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.136 0.494 . . . . 0.0 109.887 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.631 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.2 p -52.0 -37.59 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.508 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 87.9 m-20 -65.12 -41.51 94.79 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.51 178.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.81 -39.71 95.14 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.428 HG22 ' O ' ' B' ' 54' ' ' VAL . 13.5 m -70.74 -30.95 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.966 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.7 mmm -56.62 -38.72 72.49 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.283 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.3 -44.5 97.11 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.746 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -67.72 -43.33 80.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.314 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.1 -36.86 82.86 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 47.9 t0 -85.72 103.95 14.98 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 119.822 -0.751 . . . . 0.0 111.205 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.98 -35.49 78.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.392 0.615 . . . . 0.0 109.539 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -59.12 -38.74 80.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.604 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.51 4.83 90.11 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.647 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 48.0 p30 -63.76 -33.2 75.14 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.205 -0.998 . . . . 0.0 112.465 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.647 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.33 -3.1 63.62 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.616 -0.993 . . . . 0.0 110.616 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -109.01 152.4 25.04 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 34.3 t -108.13 133.33 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 112.172 -177.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -99.9 159.95 14.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.022 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -51.72 -42.35 62.2 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.146 -1.021 . . . . 0.0 110.01 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.28 -41.51 89.07 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.604 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.447 ' O ' HG22 ' B' ' 76' ' ' VAL . 95.9 mt-10 -68.86 -38.96 80.07 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.888 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -63.85 -45.56 88.95 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.445 HG13 ' HB1' ' A' ' 79' ' ' ALA . 3.5 p -60.11 -39.61 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.634 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.447 HG22 ' O ' ' B' ' 73' ' ' GLU . 30.5 m -74.74 -33.28 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.572 178.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.423 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.9 tt -60.01 -42.17 93.71 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.43 HG22 ' O ' ' B' ' 75' ' ' VAL . 23.2 m -73.02 -31.73 36.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.54 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.452 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -60.81 -37.78 83.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.732 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.82 92.09 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.618 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.505 ' H ' HD12 ' B' ' 81' ' ' LEU . 6.3 mp -65.89 -35.01 79.46 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.342 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.685 HG23 ' CG ' ' A' ' 8' ' ' MET . 70.5 m -52.19 -38.62 58.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.789 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.83 -35.76 66.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.573 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.84 94.75 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.366 -0.534 . . . . 0.0 111.041 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 48.0 ttp -60.14 -38.02 81.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 119.439 -0.904 . . . . 0.0 108.791 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.77 -42.46 88.99 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.728 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.25 -42.53 98.78 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.304 0.573 . . . . 0.0 109.463 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -60.98 -40.29 92.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.416 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -53.53 -39.08 64.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.812 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -53.71 -34.99 60.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.164 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.16 -33.0 66.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.284 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.02 136.79 42.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.443 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.667 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.49 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 29.5 t . . . . . 0 C--O 1.236 0.37 0 CA-C-O 120.952 0.405 . . . . 0.0 110.487 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.06 -37.46 71.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.761 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.0 tp -59.37 -42.69 92.18 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.376 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.805 ' OE2' HD12 ' B' ' 41' ' ' LEU . 76.9 mm-40 -66.38 -38.51 87.71 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.393 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 m -60.34 -43.02 96.83 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.172 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.478 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -68.06 -39.31 83.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.045 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.706 ' CG ' HG23 ' B' ' 82' ' ' THR . 47.1 ttm -60.14 -43.65 95.55 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -57.86 -31.11 66.37 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.262 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.472 HG21 ' HB2' ' B' ' 7' ' ' ALA . 39.0 m -56.0 -37.69 69.46 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.293 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.25 -42.44 99.18 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.186 -1.005 . . . . 0.0 110.818 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.495 HD12 ' HE1' ' B' ' 85' ' ' MET . 74.7 mt -65.38 -43.68 94.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.952 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -60.41 -41.07 93.14 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.709 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.403 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 29.9 m -73.22 -38.02 53.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.404 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -60.59 -48.79 80.2 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.651 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.466 ' CD2' HG22 ' A' ' 12' ' ' ILE . 8.1 m-70 -62.38 -46.05 90.39 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.196 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.59 -48.54 74.57 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.785 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.499 ' CB ' HD12 ' A' ' 36' ' ' LEU . 72.9 m80 -62.58 -47.38 84.06 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.214 -0.595 . . . . 0.0 111.67 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 22' ' ' GLU . 22.9 t -61.26 -41.0 96.17 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.973 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.28 96.21 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.42 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.05 -41.17 87.24 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.48 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.6 mt-10 -125.4 149.33 48.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 111.19 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.76 -162.05 3.4 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -73.14 135.67 44.73 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.01 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -60.03 -39.0 84.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.08 0.466 . . . . 0.0 110.869 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -64.87 -32.01 73.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.368 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -114.82 141.47 47.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.311 0.577 . . . . 0.0 111.912 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -110.7 132.88 53.81 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.447 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.9 m -104.09 150.96 23.83 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.439 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 25.7 tttm -56.07 -35.73 67.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 118.644 -1.222 . . . . 0.0 109.371 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.54 -40.85 72.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.48 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.3 mt-10 -66.32 -37.52 85.56 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.446 HD21 ' CD1' ' A' ' 77' ' ' LEU . 28.0 tp -62.42 -44.22 96.95 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.052 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -59.91 -42.59 94.24 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.218 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.23 -40.49 94.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.339 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.499 HD12 ' CB ' ' A' ' 18' ' ' HIS . 8.4 tt -64.92 -43.49 92.64 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.024 -179.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.422 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -68.48 -43.5 76.79 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 120.491 -0.483 . . . . 0.0 112.161 -179.819 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.57 -43.66 93.18 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.952 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.1 m -71.73 -47.04 56.49 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.492 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.6 mm-40 -76.89 -33.82 57.78 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -177.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.819 HD12 ' OE2' ' B' ' 5' ' ' GLU . 12.2 tp -103.0 138.81 39.38 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.576 0.703 . . . . 0.0 112.751 -176.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.621 ' O ' ' N ' ' A' ' 44' ' ' PHE . 26.5 m -51.35 -27.0 8.58 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.568 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -43.51 -10.27 0.01 OUTLIER Glycine 0 CA--C 1.524 0.609 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.472 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 42' ' ' SER . 60.4 t80 -45.59 -37.57 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.8 -35.92 69.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.732 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.568 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 33.1 p30 -83.64 11.35 7.39 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.922 0.391 . . . . 0.0 110.686 -179.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.505 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -58.16 -25.01 60.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.529 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.669 ' O ' HG12 ' A' ' 51' ' ' VAL . 94.5 mm-40 -54.88 -152.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.992 0.425 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -56.43 -27.92 58.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.774 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.92 -35.03 63.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.912 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.706 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.6 p -53.7 -29.55 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.698 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.65 -34.95 60.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.71 -28.71 61.43 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.387 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.706 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.8 p -55.34 -34.67 34.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.142 0.496 . . . . 0.0 109.838 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -64.6 -43.16 94.7 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.939 -0.705 . . . . 0.0 112.089 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -69.37 -45.97 68.08 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.476 0.655 . . . . 0.0 112.072 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.87 -32.13 55.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.637 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.439 ' SD ' ' HD2' ' A' ' 30' ' ' LYS . 17.8 ttt -55.77 -38.39 69.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.441 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -59.16 -40.76 86.57 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.742 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.73 -39.55 88.03 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.203 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.1 mt -67.59 -37.31 82.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.852 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.499 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 64.9 t0 -85.92 107.44 17.72 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.243 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.84 -35.88 81.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.162 0.506 . . . . 0.0 110.004 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -59.09 -38.77 80.31 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.191 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.79 14.03 81.81 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 108.742 -1.743 . . . . 0.0 108.742 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.5 p30 -90.09 2.53 55.15 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.26 9.56 60.97 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -105.22 143.22 33.69 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.5 t -108.98 130.36 62.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-O 121.763 0.792 . . . . 0.0 111.488 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -110.63 160.85 16.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.754 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -53.28 -41.77 65.91 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.641 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.495 ' O ' HG12 ' A' ' 75' ' ' VAL . 63.4 tt0 -59.39 -40.81 87.75 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.05 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.499 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 92.7 mt-10 -67.46 -38.35 84.31 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.712 -0.795 . . . . 0.0 109.812 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.425 ' CE2' HG11 ' A' ' 78' ' ' VAL . 76.7 t80 -63.11 -44.3 96.04 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.249 -0.887 . . . . 0.0 113.322 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 72' ' ' GLN . 2.8 p -59.77 -38.88 78.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 119.764 -0.775 . . . . 0.0 110.655 -178.133 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 73' ' ' GLU . 30.7 m -75.66 -34.23 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.861 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.446 ' CD1' HD21 ' A' ' 33' ' ' LEU . 10.0 tt -60.2 -42.09 94.37 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.179 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.425 HG11 ' CE2' ' A' ' 74' ' ' TYR . 23.1 m -73.25 -33.47 41.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 120.219 -0.593 . . . . 0.0 111.133 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.436 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -62.13 -38.89 90.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.225 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.18 -42.82 93.26 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.312 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.7 mt -64.57 -36.67 84.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.608 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.703 HG23 ' CG ' ' B' ' 8' ' ' MET . 59.0 m -53.22 -37.86 62.39 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.804 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.401 HG21 ' HG3' ' B' ' 72' ' ' GLN . 85.8 t -60.07 -35.27 60.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.215 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.12 -34.36 76.2 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.772 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.433 ' HE1' HD12 ' B' ' 12' ' ' ILE . 4.7 ttp -58.6 -38.17 77.41 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.378 -179.124 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -57.93 -42.73 85.45 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -62.42 -40.94 98.18 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 113.794 -1.548 . . . . 0.0 110.172 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.56 -41.14 93.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.401 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -53.11 -39.53 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.892 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.8 -34.85 63.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.701 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.25 -32.72 72.53 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.66 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -100.05 120.0 39.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.538 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.58 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.627 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.492 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 29.0 t -107.41 142.41 37.28 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.993 0.425 . . . . 0.0 110.52 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.07 -37.45 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.818 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 tp -59.39 -42.59 92.07 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.503 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.819 ' OE2' HD12 ' A' ' 41' ' ' LEU . 76.9 mm-40 -66.37 -38.56 87.84 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.35 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.4 m -60.14 -43.19 95.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.22 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.472 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -67.98 -39.4 83.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.999 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.703 ' CG ' HG23 ' A' ' 82' ' ' THR . 47.2 ttm -60.15 -43.67 95.58 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.381 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -57.83 -31.08 66.28 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.32 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.478 HG21 ' HB2' ' A' ' 7' ' ' ALA . 39.1 m -56.12 -37.65 69.71 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.237 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.2 -42.47 99.31 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 119.16 -1.016 . . . . 0.0 110.828 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.473 HG22 ' CD2' ' B' ' 16' ' ' HIS . 74.5 mt -65.33 -43.66 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.052 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.53 -40.99 93.48 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.595 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 30.2 m -73.24 -38.07 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.424 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.49 -48.86 79.93 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.703 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.473 ' CD2' HG22 ' B' ' 12' ' ' ILE . 8.0 m-70 -62.27 -46.11 90.27 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.264 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.57 -48.43 75.02 Favored 'General case' 0 C--N 1.334 -0.097 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.869 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.495 ' CB ' HD12 ' B' ' 36' ' ' LEU . 72.9 m80 -62.73 -47.27 84.31 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.636 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.473 ' O ' ' O ' ' B' ' 22' ' ' GLU . 22.9 t -61.38 -40.96 96.27 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.989 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.18 -38.32 96.32 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.44 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.08 -41.14 87.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.495 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.6 mt-10 -125.37 149.24 48.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 111.233 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.86 -162.04 3.52 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.36 135.8 44.33 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.556 -0.457 . . . . 0.0 109.976 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -60.01 -39.04 84.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.038 0.447 . . . . 0.0 110.861 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -64.93 -31.97 73.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.332 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -114.76 141.44 47.85 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.317 0.58 . . . . 0.0 111.978 -178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -110.77 132.82 53.87 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.439 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.7 m -104.09 151.04 23.75 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.433 ' HD2' ' SD ' ' B' ' 58' ' ' MET . 25.7 tttm -56.11 -35.78 67.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 118.655 -1.218 . . . . 0.0 109.279 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.49 -40.91 72.29 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.495 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.4 mt-10 -66.28 -37.49 85.56 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.45 HD21 ' CD1' ' B' ' 77' ' ' LEU . 27.9 tp -62.45 -44.21 96.95 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.108 -178.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -59.85 -42.65 94.08 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 119.025 -1.07 . . . . 0.0 110.26 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.17 -40.51 94.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.338 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.495 HD12 ' CB ' ' B' ' 18' ' ' HIS . 8.4 tt -64.89 -43.55 92.55 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.201 -0.599 . . . . 0.0 111.072 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' B' ' 37' ' ' LEU . 0.5 OUTLIER -68.43 -43.46 77.07 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 120.502 -0.479 . . . . 0.0 112.207 -179.867 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.57 -43.67 93.13 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.052 -1.059 . . . . 0.0 111.995 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -71.77 -46.94 56.73 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.49 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 77.6 mm-40 -76.97 -33.77 57.61 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.805 HD12 ' OE2' ' A' ' 5' ' ' GLU . 12.2 tp -103.04 138.87 39.33 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.572 0.701 . . . . 0.0 112.734 -176.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.623 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.5 m -51.33 -27.01 8.52 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.555 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -43.46 -10.35 0.01 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.623 ' N ' ' O ' ' B' ' 42' ' ' SER . 60.3 t80 -45.58 -37.59 5.66 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.73 -35.99 69.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.783 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.555 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 33.2 p30 -83.63 11.49 7.16 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.926 0.393 . . . . 0.0 110.697 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -58.17 -25.03 61.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.54 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.655 ' O ' HG12 ' B' ' 51' ' ' VAL . 94.5 mm-40 -54.89 -152.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.967 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -56.42 -27.99 58.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.696 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.91 -35.05 63.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.969 0.414 . . . . 0.0 109.886 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.701 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.6 p -53.81 -29.39 17.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.682 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.72 -34.94 60.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.74 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.72 -28.8 61.65 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.337 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.701 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.8 p -55.33 -34.6 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.88 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -64.55 -43.24 94.58 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.979 -0.688 . . . . 0.0 112.069 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -69.29 -45.98 68.3 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.531 0.681 . . . . 0.0 112.124 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.9 -32.15 55.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.628 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.433 ' SD ' ' HD2' ' B' ' 30' ' ' LYS . 17.9 ttt -55.73 -38.32 69.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.437 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -59.14 -40.85 86.8 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.748 -178.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.68 -39.66 88.22 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 67.2 mt -67.51 -37.36 82.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.855 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.496 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 65.0 t0 -85.98 107.51 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.227 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.01 -35.78 80.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.978 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -59.02 -38.78 80.09 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.227 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.71 14.14 81.6 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 108.739 -1.745 . . . . 0.0 108.739 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -90.1 2.47 55.23 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.29 9.53 61.01 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -105.12 143.16 33.68 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.0 130.32 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-O 121.693 0.759 . . . . 0.0 111.586 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -110.66 160.8 16.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.432 -1.258 . . . . 0.0 108.695 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -53.13 -41.87 65.49 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.22 -0.992 . . . . 0.0 109.612 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.501 ' O ' HG12 ' B' ' 75' ' ' VAL . 63.3 tt0 -59.41 -40.82 87.86 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.052 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.496 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 92.8 mt-10 -67.38 -38.45 84.73 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.807 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.421 ' CE2' HG11 ' B' ' 78' ' ' VAL . 77.0 t80 -63.13 -44.32 95.91 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.249 -0.887 . . . . 0.0 113.298 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.501 HG12 ' O ' ' B' ' 72' ' ' GLN . 2.7 p -59.73 -38.85 77.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.693 -178.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.491 HG22 ' O ' ' B' ' 73' ' ' GLU . 30.9 m -75.67 -34.2 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.918 178.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.45 ' CD1' HD21 ' B' ' 33' ' ' LEU . 10.0 tt -60.24 -42.08 94.51 Favored 'General case' 0 C--O 1.23 0.055 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.116 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.421 HG11 ' CE2' ' B' ' 74' ' ' TYR . 23.2 m -73.25 -33.4 41.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.185 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.424 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -62.32 -38.77 90.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.196 -178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.16 -42.87 93.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.309 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.3 mt -64.54 -36.67 84.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.553 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.706 HG23 ' CG ' ' A' ' 8' ' ' MET . 59.6 m -53.16 -38.02 62.39 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.727 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 83.4 t -59.87 -35.38 60.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.279 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.42 76.23 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.847 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.495 ' HE1' HD12 ' A' ' 12' ' ' ILE . 4.7 ttp -58.58 -38.19 77.38 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 119.821 -0.751 . . . . 0.0 110.334 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -57.84 -42.88 85.32 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -62.41 -40.9 98.03 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.216 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.61 -41.12 94.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.387 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -53.12 -39.46 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.948 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.85 -34.78 63.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.738 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.38 -32.62 72.54 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.624 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.09 120.03 39.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.532 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.56 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.517 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 46.6 t . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.76 0.314 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -61.87 -37.37 84.3 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -61.64 -41.43 97.5 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.988 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.27 -40.97 94.61 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.445 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.5 m -62.04 -43.19 99.38 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.777 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.75 85.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.309 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.603 ' CG ' HG23 ' B' ' 82' ' ' THR . 65.2 ttp -61.44 -43.34 99.04 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.326 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.37 -31.37 67.58 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.066 0.46 . . . . 0.0 110.134 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.3 m -56.39 -35.87 68.24 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.83 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.5 mt -60.3 -41.38 93.3 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 118.94 -1.104 . . . . 0.0 110.959 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.98 -47.22 91.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.034 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -60.17 -43.03 96.15 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.425 ' C ' ' HD1' ' A' ' 18' ' ' HIS . 26.5 m -71.72 -35.9 57.13 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 C-N-CA 119.946 -0.702 . . . . 0.0 110.259 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -60.1 -49.83 76.08 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.729 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -63.8 -47.09 82.26 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.3 -51.58 55.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 120.019 -0.672 . . . . 0.0 112.087 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.439 ' CD2' ' CD1' ' A' ' 36' ' ' LEU . 75.5 m80 -62.23 -46.99 86.39 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.292 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.571 ' OG ' HD13 ' A' ' 28' ' ' LEU . 19.7 m -61.59 -38.86 89.1 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.122 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.52 -38.19 95.95 Favored Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -59.6 -40.05 86.23 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -126.22 155.69 41.43 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -177.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.22 -136.92 48.03 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-N 114.495 -1.23 . . . . 0.0 112.857 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.507 ' O ' ' O ' ' A' ' 27' ' ' LYS . 60.3 t0 -82.85 119.8 24.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -59.35 -38.42 80.34 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.474 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -67.29 -33.04 74.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.426 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.507 ' O ' ' O ' ' A' ' 24' ' ' ASP . 97.0 mttt -121.27 150.89 40.71 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.639 0.733 . . . . 0.0 112.954 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.571 HD13 ' OG ' ' A' ' 19' ' ' SER . 22.5 tp -101.48 131.6 47.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.7 178.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -103.9 151.37 23.22 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.882 0.372 . . . . 0.0 110.013 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.687 ' NZ ' ' SD ' ' A' ' 58' ' ' MET . 38.3 tttt -57.33 -37.84 73.16 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.094 -178.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -56.29 -41.57 76.13 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.552 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.4 mt-10 -66.57 -37.12 84.26 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.076 177.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.77 HD11 ' CD2' ' A' ' 77' ' ' LEU . 16.1 tp -64.98 -46.66 80.55 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.404 ' HB3' HE21 ' A' ' 38' ' ' GLN . 29.6 mtmt -60.16 -47.79 84.44 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 118.629 -1.228 . . . . 0.0 109.76 -178.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' OG1' ' A' ' 39' ' ' THR . 84.4 tt0 -62.82 -39.98 95.97 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.005 -1.452 . . . . 0.0 111.686 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' CD1' ' CD2' ' A' ' 18' ' ' HIS . 39.7 tp -65.61 -47.93 74.0 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.453 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -69.89 -43.98 70.65 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 119.558 -0.857 . . . . 0.0 111.841 -179.687 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.404 HE21 ' HB3' ' A' ' 34' ' ' LYS . 57.5 mt-30 -65.46 -41.67 93.15 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.85 -0.74 . . . . 0.0 111.414 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 48.5 m -69.47 -44.38 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.507 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 76.0 mm-40 -76.26 -33.84 59.16 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.0 mt -100.04 150.8 22.07 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.608 ' O ' ' N ' ' A' ' 44' ' ' PHE . 26.3 m -53.61 -28.0 30.0 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 113.837 -1.528 . . . . 0.0 108.078 178.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -44.91 -8.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.606 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.508 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.608 ' N ' ' O ' ' A' ' 42' ' ' SER . 66.7 t80 -48.47 -37.77 18.21 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -55.4 -35.8 65.73 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 48' ' ' GLN . 52.5 t0 -54.37 -31.29 54.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.562 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -32.87 -23.08 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.901 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.658 ' N ' ' O ' ' A' ' 46' ' ' ASP . 94.1 mt-30 -51.5 -174.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -56.37 -28.63 59.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.381 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.27 -34.19 63.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.18 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.641 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.1 p -52.18 -27.17 9.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.944 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -53.0 -35.38 59.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.682 0.277 . . . . 0.0 111.017 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.26 -28.23 62.78 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.053 0.454 . . . . 0.0 110.175 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.641 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.6 p -53.12 -36.76 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.567 ' HA ' ' HZ1' ' A' ' 30' ' ' LYS . 88.8 m-20 -65.27 -42.57 93.09 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.034 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -63.1 -41.17 99.33 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.5 m -73.76 -29.32 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.687 ' SD ' ' NZ ' ' A' ' 30' ' ' LYS . 16.6 ttt -54.62 -38.26 66.6 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.014 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -59.01 -39.98 83.51 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.532 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.36 -39.78 89.36 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.516 ' CD1' HD12 ' A' ' 77' ' ' LEU . 73.7 mt -67.69 -37.89 82.93 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.737 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.513 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 57.0 t0 -87.37 103.74 15.77 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.17 -179.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.6 -34.74 76.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.289 0.566 . . . . 0.0 110.358 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -57.9 -38.98 76.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.342 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.12 5.7 81.37 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 107.785 -2.126 . . . . 0.0 107.785 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.8 p30 -63.4 -33.33 75.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.043 -1.079 . . . . 0.0 113.017 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.653 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.14 -1.99 63.24 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -109.81 153.72 24.0 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.404 HG21 HD22 ' A' ' 33' ' ' LEU . 43.0 t -106.98 132.91 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 0.0 111.432 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 56.8 t0 -102.86 155.29 18.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.054 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.481 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 80.1 t80 -51.82 -41.56 61.86 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.129 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.471 ' O ' HG12 ' A' ' 75' ' ' VAL . 63.6 tt0 -58.69 -40.5 83.81 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.869 -0.732 . . . . 0.0 110.206 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.498 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 95.0 mt-10 -67.4 -38.48 84.72 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.67 0.747 . . . . 0.0 109.852 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -62.94 -44.78 95.14 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.148 -0.933 . . . . 0.0 113.208 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.532 HG13 ' HB1' ' B' ' 79' ' ' ALA . 2.6 p -60.32 -39.73 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.81 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 73' ' ' GLU . 31.1 m -74.73 -33.35 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.482 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.77 ' CD2' HD11 ' A' ' 33' ' ' LEU . 15.2 tp -57.64 -45.54 85.32 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.924 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.44 -32.71 43.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.743 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.533 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -61.71 -37.88 85.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.368 -179.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.75 -44.75 84.95 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.178 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.447 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.2 mp -65.62 -35.77 81.78 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.656 179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.61 HG23 ' CG ' ' B' ' 8' ' ' MET . 65.6 m -52.8 -38.24 60.95 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.391 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.94 -34.87 61.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.633 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.47 84.48 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.635 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.3 ttt -59.84 -39.14 84.12 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.453 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -57.79 -42.58 84.44 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.389 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.64 -41.61 97.74 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.504 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.28 -41.34 93.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.649 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -53.79 -39.53 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.925 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -54.47 -34.76 62.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.237 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -57.48 -33.22 67.77 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.504 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -103.25 136.86 42.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.499 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.568 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.743 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.507 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 46.7 t -107.56 139.95 41.31 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.711 0.291 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -61.74 -37.54 84.6 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -61.53 -41.51 97.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.012 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.21 -41.06 94.85 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.385 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.9 m -61.97 -43.23 99.27 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.703 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.74 85.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.213 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.61 ' CG ' HG23 ' A' ' 82' ' ' THR . 65.2 ttp -61.4 -43.33 99.05 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.41 -31.3 67.58 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.022 0.439 . . . . 0.0 110.127 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -56.5 -35.89 68.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.75 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.4 mt -60.31 -41.33 93.24 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 118.897 -1.121 . . . . 0.0 111.005 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.96 -47.24 91.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.027 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -60.16 -42.98 96.07 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.439 ' C ' ' HD1' ' B' ' 18' ' ' HIS . 26.5 m -71.79 -35.88 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.244 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.07 -49.82 76.13 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 119.399 -0.921 . . . . 0.0 109.752 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -63.68 -47.23 82.03 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.3 -51.46 57.17 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 119.963 -0.695 . . . . 0.0 112.152 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.448 ' CD2' ' CD1' ' B' ' 36' ' ' LEU . 75.5 m80 -62.27 -47.03 86.16 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.259 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.561 ' OG ' HD13 ' B' ' 28' ' ' LEU . 19.7 m -61.66 -38.8 89.09 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.117 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.54 -38.25 96.05 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 115.054 -0.976 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -59.61 -39.98 85.99 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.547 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -126.27 155.71 41.47 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.17 -136.93 47.91 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 114.441 -1.254 . . . . 0.0 112.794 177.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.506 ' O ' ' O ' ' B' ' 27' ' ' LYS . 60.3 t0 -82.81 119.88 24.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -59.33 -38.39 80.23 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.572 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -67.29 -33.06 74.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.457 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.506 ' O ' ' O ' ' B' ' 24' ' ' ASP . 96.9 mttt -121.18 150.99 40.47 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -178.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.561 HD13 ' OG ' ' B' ' 19' ' ' SER . 22.3 tp -101.58 131.57 47.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.663 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -103.92 151.38 23.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.064 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.681 ' NZ ' ' SD ' ' B' ' 58' ' ' MET . 38.2 tttt -57.39 -37.79 73.23 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.074 -178.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -56.27 -41.57 76.04 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.547 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -66.55 -37.09 84.24 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.098 177.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.76 HD11 ' CD2' ' B' ' 77' ' ' LEU . 16.1 tp -65.01 -46.77 80.01 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -60.11 -47.74 84.62 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 118.637 -1.225 . . . . 0.0 109.789 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.9 -39.85 95.77 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.046 -1.434 . . . . 0.0 111.719 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.448 ' CD1' ' CD2' ' B' ' 18' ' ' HIS . 39.7 tp -65.81 -47.79 73.9 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.092 -0.643 . . . . 0.0 112.422 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.5 OUTLIER -69.91 -43.91 70.77 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 119.529 -0.869 . . . . 0.0 111.903 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -65.55 -41.63 92.78 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.756 -0.777 . . . . 0.0 111.395 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.7 m -69.48 -44.36 71.3 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.517 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 75.9 mm-40 -76.24 -33.9 59.19 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 72.5 mt -99.97 150.86 21.98 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.611 ' O ' ' N ' ' B' ' 44' ' ' PHE . 27.1 m -53.63 -28.04 30.56 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 113.889 -1.505 . . . . 0.0 108.037 178.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' B' ' 46' ' ' ASP . . . -44.87 -8.87 0.01 OUTLIER Glycine 0 CA--C 1.524 0.606 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.511 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.611 ' N ' ' O ' ' B' ' 42' ' ' SER . 66.8 t80 -48.57 -37.65 18.47 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 28.4 tp -55.48 -35.82 65.95 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' B' ' 48' ' ' GLN . 52.5 t0 -54.39 -31.24 54.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.54 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -32.88 -23.05 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.912 -178.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.651 ' N ' ' O ' ' B' ' 46' ' ' ASP . 94.0 mt-30 -51.48 -174.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -56.28 -28.67 59.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.866 0.365 . . . . 0.0 110.433 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.33 -34.17 63.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.169 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.64 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.0 p -52.08 -27.27 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.981 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -53.01 -35.34 59.29 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.048 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.17 -28.34 62.7 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.153 0.501 . . . . 0.0 110.215 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.64 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.5 p -53.02 -36.81 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.545 ' HA ' ' HZ1' ' B' ' 30' ' ' LYS . 88.7 m-20 -65.19 -42.69 93.36 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.981 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -63.01 -41.19 99.5 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 19.6 m -73.84 -29.3 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.681 ' SD ' ' NZ ' ' B' ' 30' ' ' LYS . 16.5 ttt -54.59 -38.24 66.5 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.068 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -59.0 -40.03 83.64 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.538 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.25 -39.92 89.84 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.515 ' CD1' HD12 ' B' ' 77' ' ' LEU . 73.3 mt -67.57 -37.95 83.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.733 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.499 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 57.2 t0 -87.42 103.81 15.85 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.181 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.63 -34.71 76.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.257 0.551 . . . . 0.0 110.324 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -57.92 -38.9 76.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.374 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.05 5.63 80.91 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 107.811 -2.116 . . . . 0.0 107.811 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.7 p30 -63.35 -33.37 75.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.004 -1.098 . . . . 0.0 113.037 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.645 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.1 -1.81 63.18 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.413 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 96.3 mt-10 -109.84 153.73 24.02 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.424 HG21 HD22 ' B' ' 33' ' ' LEU . 43.0 t -106.96 132.95 53.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.561 0.696 . . . . 0.0 111.474 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 56.8 t0 -102.86 155.29 18.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.008 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.472 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 80.4 t80 -51.69 -41.71 61.63 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.083 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.484 ' O ' HG12 ' B' ' 75' ' ' VAL . 63.6 tt0 -58.72 -40.41 83.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.209 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.495 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 95.0 mt-10 -67.45 -38.45 84.49 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.657 0.741 . . . . 0.0 109.896 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -62.98 -44.7 95.32 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.05 -0.977 . . . . 0.0 113.197 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.533 HG13 ' HB1' ' A' ' 79' ' ' ALA . 2.5 p -60.41 -39.74 81.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.767 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 73' ' ' GLU . 31.1 m -74.74 -33.43 31.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 120.186 -0.605 . . . . 0.0 109.381 178.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.76 ' CD2' HD11 ' B' ' 33' ' ' LEU . 15.1 tp -57.52 -45.61 84.79 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.973 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 m -72.43 -32.6 42.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.832 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.532 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -61.64 -37.97 85.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.329 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.82 -44.75 84.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.122 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.454 ' H ' HD12 ' B' ' 81' ' ' LEU . 6.2 mp -65.64 -35.81 81.87 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 120.499 -0.481 . . . . 0.0 110.549 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.603 HG23 ' CG ' ' A' ' 8' ' ' MET . 64.3 m -52.74 -38.23 60.57 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.442 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 87.0 t -60.94 -34.92 61.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.67 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.46 84.41 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.675 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 25.3 ttt -59.78 -39.11 83.79 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.536 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -57.85 -42.53 84.62 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.304 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.75 -41.53 97.8 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.455 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.31 -41.29 93.16 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.684 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.85 -39.5 65.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.961 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -54.5 -34.72 62.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.208 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -57.48 -33.29 67.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.501 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -103.22 136.8 42.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.48 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.518 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 p . . . . . 0 C--O 1.234 0.284 0 CA-C-O 120.697 0.284 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.03 -36.9 80.75 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.446 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp -61.17 -42.58 98.81 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.946 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.41 -42.08 88.33 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.049 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.0 m -61.94 -43.33 99.07 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.096 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.26 -40.74 81.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.552 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.551 ' CG ' HG23 ' B' ' 82' ' ' THR . 63.1 ttp -61.99 -42.02 98.67 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.397 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.64 -31.29 68.0 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 120.978 0.418 . . . . 0.0 110.217 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.0 m -56.16 -35.54 67.3 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.36 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.1 mt -59.21 -42.67 91.53 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.242 -0.983 . . . . 0.0 110.826 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.417 HD12 ' CE ' ' B' ' 85' ' ' MET . 73.8 mt -65.66 -41.51 90.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.961 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -60.13 -41.23 92.22 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.433 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -74.72 -39.06 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 120.194 -0.603 . . . . 0.0 111.101 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.541 ' CE1' HD22 ' A' ' 28' ' ' LEU . 70.1 t80 -63.8 -50.83 67.42 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.568 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -64.31 -47.32 79.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.172 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.48 85.92 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 120.211 -0.595 . . . . 0.0 111.5 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.573 ' CG ' HD13 ' A' ' 36' ' ' LEU . 86.5 t60 -63.81 -48.19 77.82 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.497 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.8 t -61.07 -40.35 93.33 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.35 -39.2 97.52 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.669 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.73 -41.28 90.55 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.563 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -126.65 153.41 45.4 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.839 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.54 -162.64 33.26 Favored Glycine 0 C--N 1.332 0.321 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -71.66 136.31 47.25 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -61.1 -38.86 87.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.078 0.466 . . . . 0.0 110.841 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -67.57 -32.61 73.48 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -117.71 148.64 41.81 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.83 HD12 ' OE1' ' A' ' 32' ' ' GLU . 14.8 tp -104.79 130.82 52.81 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.706 -1.134 . . . . 0.0 108.868 178.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.9 t -103.09 149.72 24.32 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.315 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -55.62 -36.76 67.33 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.145 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -55.58 -40.72 72.36 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.83 ' OE1' HD12 ' A' ' 28' ' ' LEU . 97.3 mt-10 -66.55 -38.84 87.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.708 HD11 HD22 ' A' ' 77' ' ' LEU . 8.8 tt -64.6 -46.64 81.8 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -59.94 -47.09 87.2 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 119.299 -0.96 . . . . 0.0 111.524 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.6 -42.28 87.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.177 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.573 HD13 ' CG ' ' A' ' 18' ' ' HIS . 37.5 tp -65.46 -46.12 81.08 Favored 'General case' 0 CA--C 1.523 -0.094 0 C-N-CA 119.97 -0.692 . . . . 0.0 112.233 -178.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -70.01 -40.95 74.92 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.624 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -64.12 -45.88 86.63 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 119.653 -0.819 . . . . 0.0 111.476 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.0 m -71.23 -43.63 66.94 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -74.57 -33.17 62.62 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.546 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.4 tp -100.39 142.7 31.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.194 0.521 . . . . 0.0 111.648 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.605 ' O ' ' N ' ' A' ' 44' ' ' PHE . 87.0 p -53.29 -23.91 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.567 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -45.43 -10.53 0.02 OUTLIER Glycine 0 CA--C 1.523 0.583 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 178.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.605 ' N ' ' O ' ' A' ' 42' ' ' SER . 55.3 t80 -46.48 -39.1 10.15 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.548 ' H ' HD12 ' A' ' 45' ' ' LEU . 6.8 mp -60.8 -31.52 70.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.281 178.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.567 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 33.1 p30 -81.49 12.25 3.89 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.045 0.45 . . . . 0.0 110.426 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -57.51 -23.04 47.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.509 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.642 ' O ' HG12 ' A' ' 51' ' ' VAL . 93.8 mt-30 -55.37 -151.9 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -56.06 -28.13 56.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.013 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.97 -34.84 63.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.038 0.446 . . . . 0.0 110.063 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 48' ' ' GLN . 5.9 p -52.96 -26.43 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.108 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -53.72 -35.29 61.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.864 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.01 -28.34 62.38 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.013 0.435 . . . . 0.0 110.156 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.657 ' O ' HG12 ' A' ' 57' ' ' VAL . 4.4 p -52.89 -37.29 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -68.04 -39.42 83.08 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -65.89 -42.04 90.76 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.492 0.663 . . . . 0.0 111.865 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.657 HG12 ' O ' ' A' ' 54' ' ' VAL . 9.9 p -61.99 -32.25 53.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.905 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.5 mmm -56.79 -36.13 69.51 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -58.21 -43.34 87.63 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.907 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.2 -38.12 84.82 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.36 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.624 ' CD1' HD13 ' A' ' 77' ' ' LEU . 81.5 mt -66.26 -37.03 84.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.049 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.479 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 98.5 m-20 -103.74 70.21 1.01 Allowed 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.96 -29.34 70.18 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -53.86 -36.73 62.93 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 114.072 -1.422 . . . . 0.0 109.916 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.03 1.03 73.39 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 108.417 -1.873 . . . . 0.0 108.417 -178.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.69 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.1 p30 -62.86 -35.62 80.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.413 -0.894 . . . . 0.0 112.769 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.69 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 84.63 5.79 86.3 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.479 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 95.8 mt-10 -112.57 156.42 22.69 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.089 -0.555 . . . . 0.0 109.904 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.0 t -107.68 132.95 53.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.503 0.668 . . . . 0.0 111.606 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -102.65 158.57 16.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.292 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -52.79 -41.63 64.29 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.122 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.438 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.5 tt0 -57.92 -40.84 81.39 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.232 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.474 ' OE1' ' OD1' ' A' ' 62' ' ' ASP . 94.3 mt-10 -67.46 -37.78 83.45 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.443 0.64 . . . . 0.0 110.313 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -63.53 -46.0 88.03 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 72' ' ' GLN . 2.8 p -60.36 -39.58 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.138 0 C-N-CA 119.796 -0.762 . . . . 0.0 110.634 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.7 m -74.63 -32.97 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.485 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.708 HD22 HD11 ' A' ' 33' ' ' LEU . 12.9 tp -56.99 -45.36 83.01 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.248 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.408 ' H ' HG22 ' A' ' 78' ' ' VAL . 27.8 m -72.54 -35.14 50.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.203 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.432 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -62.51 -38.98 92.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.276 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.94 87.69 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.676 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.58 -36.31 83.83 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.706 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.546 HG23 ' CG ' ' B' ' 8' ' ' MET . 57.0 m -52.97 -37.71 61.43 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.737 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.02 -35.59 62.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.432 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.75 94.31 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.393 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.423 ' CE ' HD12 ' B' ' 12' ' ' ILE . 47.3 ttp -57.98 -38.33 75.86 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.06 -40.13 84.22 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -59.71 -43.71 94.01 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.443 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -65.59 -34.95 79.43 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.119 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -54.03 -39.2 65.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.868 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -54.12 -34.42 60.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.203 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.03 -33.66 67.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.487 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -104.75 136.98 43.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.523 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.531 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -69.73 162.24 28.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.434 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.03 -36.94 80.86 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.393 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.17 -42.56 98.79 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.004 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.43 -41.95 88.43 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.081 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.5 m -62.09 -43.3 99.14 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.01 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.75 81.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.578 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.546 ' CG ' HG23 ' A' ' 82' ' ' THR . 63.1 ttp -61.92 -42.04 98.64 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -178.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.59 -31.35 67.96 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 120.98 0.419 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.6 m -56.09 -35.47 67.05 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.412 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.3 mt -59.36 -42.62 92.0 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.233 -0.987 . . . . 0.0 110.766 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.423 HD12 ' CE ' ' A' ' 85' ' ' MET . 73.8 mt -65.73 -41.42 90.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.962 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -60.1 -41.27 92.19 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.453 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.85 -39.03 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.999 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.545 ' CE1' HD22 ' B' ' 28' ' ' LEU . 69.9 t80 -63.65 -50.97 67.2 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.538 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -64.33 -47.27 80.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.106 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.36 86.01 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.551 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.564 ' CG ' HD13 ' B' ' 36' ' ' LEU . 86.5 t60 -63.82 -48.23 77.64 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.447 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.6 t -61.03 -40.38 93.38 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.901 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.36 -39.13 97.43 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.714 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.8 -41.22 90.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.563 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -126.71 153.49 45.39 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.852 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.43 -162.64 32.86 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.69 136.38 47.23 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -61.06 -38.86 87.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.178 0.514 . . . . 0.0 110.975 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -67.46 -32.68 73.7 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -117.75 148.53 41.95 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.838 HD12 ' OE1' ' B' ' 32' ' ' GLU . 14.8 tp -104.71 130.83 52.7 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.93 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.0 t -103.14 149.74 24.33 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.794 0.33 . . . . 0.0 110.34 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -55.56 -36.8 67.21 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 119.04 -1.064 . . . . 0.0 110.192 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -55.45 -40.72 71.93 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 119.105 -1.038 . . . . 0.0 108.284 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.838 ' OE1' HD12 ' B' ' 28' ' ' LEU . 97.3 mt-10 -66.53 -38.91 88.2 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 177.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.686 HD11 HD22 ' B' ' 77' ' ' LEU . 8.8 tt -64.53 -46.61 82.14 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -59.98 -47.01 87.56 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 119.266 -0.974 . . . . 0.0 111.603 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.7 -42.21 86.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.174 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.564 HD13 ' CG ' ' B' ' 18' ' ' HIS . 37.3 tp -65.37 -46.21 81.07 Favored 'General case' 0 CA--C 1.522 -0.121 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.268 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -70.01 -40.95 74.95 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.059 -0.657 . . . . 0.0 111.664 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -64.1 -45.86 86.75 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.485 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.8 m -71.18 -43.67 67.0 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -74.55 -33.17 62.65 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.539 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.4 tp -100.4 142.8 31.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.302 0.572 . . . . 0.0 111.581 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.594 ' O ' ' N ' ' B' ' 44' ' ' PHE . 86.9 p -53.33 -23.97 10.68 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.582 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -45.36 -10.61 0.02 OUTLIER Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.594 ' N ' ' O ' ' B' ' 42' ' ' SER . 55.3 t80 -46.52 -39.04 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.54 HD12 ' H ' ' B' ' 45' ' ' LEU . 6.8 mp -60.84 -31.45 70.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.309 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.582 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 33.2 p30 -81.51 12.19 3.96 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.009 0.433 . . . . 0.0 110.393 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.504 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -57.51 -22.96 47.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.504 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.644 ' O ' HG12 ' B' ' 51' ' ' VAL . 93.8 mt-30 -55.38 -151.81 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.634 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -56.16 -28.17 57.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.967 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.01 -34.69 63.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.973 0.416 . . . . 0.0 110.103 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.644 HG12 ' O ' ' B' ' 48' ' ' GLN . 5.9 p -53.07 -26.35 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.107 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -53.67 -35.34 60.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.601 0.239 . . . . 0.0 110.807 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.14 -28.22 62.54 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 120.936 0.398 . . . . 0.0 110.13 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.658 ' O ' HG12 ' B' ' 57' ' ' VAL . 4.4 p -52.87 -37.37 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.402 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 87.6 m-20 -67.96 -39.47 83.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -65.97 -42.03 90.4 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.434 0.635 . . . . 0.0 111.82 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.658 HG12 ' O ' ' B' ' 54' ' ' VAL . 9.9 p -61.93 -32.21 53.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.924 -178.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 95.4 mmm -56.94 -36.02 69.76 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -58.22 -43.3 87.65 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.902 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.25 -38.14 84.65 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.489 -0.485 . . . . 0.0 111.361 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.617 ' CD1' HD13 ' B' ' 77' ' ' LEU . 81.5 mt -66.29 -36.94 84.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.058 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 98.5 m-20 -103.76 70.26 1.01 Allowed 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.1 -29.3 70.22 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -53.79 -36.81 62.84 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 114.041 -1.436 . . . . 0.0 109.955 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.09 1.09 73.14 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.687 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.2 p30 -62.93 -35.58 80.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.417 -0.892 . . . . 0.0 112.774 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.687 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 84.68 5.67 86.35 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 -178.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.493 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 95.8 mt-10 -112.57 156.38 22.76 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.07 -0.565 . . . . 0.0 109.927 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.0 t -107.72 133.02 53.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.548 0.69 . . . . 0.0 111.541 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -102.69 158.63 16.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.682 -1.145 . . . . 0.0 109.328 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -52.77 -41.67 64.28 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.074 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.426 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.5 tt0 -57.92 -40.84 81.39 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.277 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.469 ' OE1' ' OD1' ' B' ' 62' ' ' ASP . 94.3 mt-10 -67.41 -37.79 83.61 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.486 0.66 . . . . 0.0 110.375 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -63.47 -45.94 88.47 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.432 HG13 ' HB1' ' A' ' 79' ' ' ALA . 2.7 p -60.43 -39.62 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 119.814 -0.755 . . . . 0.0 110.621 -178.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.435 HG22 ' O ' ' B' ' 73' ' ' GLU . 32.7 m -74.61 -32.94 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.543 178.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.686 HD22 HD11 ' B' ' 33' ' ' LEU . 13.0 tp -56.96 -45.44 82.84 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.279 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.45 -35.11 50.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.268 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.418 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -62.55 -39.02 92.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.307 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.61 -44.04 87.76 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.658 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.9 mt -64.42 -36.4 84.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.733 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.551 HG23 ' CG ' ' A' ' 8' ' ' MET . 57.1 m -52.92 -37.81 61.19 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.765 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.02 -35.59 62.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.411 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.85 94.36 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.369 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.417 ' CE ' HD12 ' A' ' 12' ' ' ILE . 47.3 ttp -58.01 -38.26 75.82 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.11 -40.11 84.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -59.78 -43.67 94.26 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.457 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -65.59 -34.95 79.43 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.136 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -54.02 -39.24 65.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.853 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -54.04 -34.46 60.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.23 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.03 -33.55 67.31 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.523 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -104.85 136.95 43.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.453 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 17.4 p . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.602 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.54 -42.62 99.1 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.264 -0.575 . . . . 0.0 110.558 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.46 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 38.7 tp -64.07 -39.85 94.98 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.99 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.509 ' OE2' ' O ' ' B' ' 40' ' ' GLU . 97.6 mt-10 -63.75 -39.37 94.12 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.036 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.2 m -64.76 -42.59 95.02 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.603 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.38 87.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.61 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.527 ' CG ' HG23 ' B' ' 82' ' ' THR . 65.3 ttp -62.04 -41.11 97.77 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 120.547 -0.461 . . . . 0.0 112.054 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.77 -29.78 67.04 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.971 0.415 . . . . 0.0 109.998 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.3 m -54.59 -35.86 63.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.378 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.409 ' CD2' HD11 ' B' ' 4' ' ' LEU . 58.2 mt -59.08 -40.66 85.91 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 118.816 -1.154 . . . . 0.0 110.198 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -63.87 -47.32 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.51 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.46 -41.68 97.6 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.542 -0.463 . . . . 0.0 112.219 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.8 m -71.93 -38.23 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.005 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -60.32 -47.49 85.79 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.836 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.476 ' HB3' ' HZ1' ' A' ' 25' ' ' LYS . 7.3 m-70 -61.76 -46.86 87.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.549 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.29 -47.67 75.82 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.159 -0.616 . . . . 0.0 112.022 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -62.57 -47.52 83.49 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.696 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 22' ' ' GLU . 85.9 p -65.19 -35.65 81.75 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.263 -0.575 . . . . 0.0 111.202 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.02 -38.41 95.99 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.901 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.48 -41.04 88.88 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.4 mt-10 -124.1 152.59 42.56 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.963 0.411 . . . . 0.0 111.423 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.29 -163.37 0.14 Allowed Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.6 136.95 47.62 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.378 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HZ1' ' HB3' ' A' ' 16' ' ' HIS . 41.6 tttp -59.65 -37.84 79.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.475 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -65.12 -27.46 68.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.365 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -112.9 143.35 44.33 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.737 0.779 . . . . 0.0 112.257 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -103.95 124.4 48.92 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 114.535 -1.211 . . . . 0.0 107.907 179.232 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.703 ' N ' HD13 ' A' ' 28' ' ' LEU . 86.4 p -104.64 154.57 19.79 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.903 0.383 . . . . 0.0 110.575 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -57.41 -37.6 73.0 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.51 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -55.92 -41.29 74.34 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 118.685 -1.206 . . . . 0.0 108.523 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 98.6 mt-10 -66.52 -38.44 87.21 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 120.126 -0.629 . . . . 0.0 109.716 177.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.491 ' CD2' ' SD ' ' A' ' 58' ' ' MET . 23.5 tp -65.44 -49.17 70.16 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -60.75 -46.81 89.02 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.279 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.88 -38.47 86.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.638 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.52 HD21 ' OE1' ' A' ' 40' ' ' GLU . 9.9 tt -64.78 -44.23 90.69 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.382 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -69.02 -43.4 74.85 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.954 179.12 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -63.32 -45.44 91.28 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.673 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.9 m -70.34 -42.38 71.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE1' HD21 ' A' ' 36' ' ' LEU . 98.3 mt-10 -74.74 -33.64 62.38 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 41' ' ' LEU . 62.5 mt -97.52 147.11 24.6 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -177.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 44' ' ' PHE . 25.0 m -54.91 -29.56 56.37 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 113.52 -1.673 . . . . 0.0 109.131 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 47' ' ' ALA . . . -45.15 -11.29 0.02 OUTLIER Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.588 ' N ' ' O ' ' A' ' 42' ' ' SER . 53.9 t80 -50.09 -42.81 50.9 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.185 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.2 tp -61.11 -40.6 94.36 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -102.17 8.4 40.63 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' A' ' 43' ' ' GLY . . . -60.66 -30.79 70.11 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.69 ' O ' HG12 ' A' ' 51' ' ' VAL . 92.9 mt-30 -31.21 -101.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 55.6 pttt -58.36 -34.74 71.0 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.303 0.573 . . . . 0.0 110.648 -178.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.07 -32.49 54.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.968 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.728 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.4 p -52.49 -34.62 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.886 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 52.9 p30 -59.54 -33.85 71.91 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.074 -0.651 . . . . 0.0 110.836 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.662 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -58.03 -27.47 63.6 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.668 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.728 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.3 p -54.18 -36.85 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.551 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -65.53 -42.73 91.66 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.793 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.47 -40.4 97.01 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.463 ' O ' HD13 ' A' ' 61' ' ' LEU . 11.8 m -72.4 -32.82 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -177.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.491 ' SD ' ' CD2' ' A' ' 33' ' ' LEU . 92.3 mmm -57.54 -38.29 74.48 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.101 -0.64 . . . . 0.0 112.335 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.33 -46.05 91.87 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.001 -0.68 . . . . 0.0 112.044 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -70.08 -42.26 72.99 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 57' ' ' VAL . 7.0 mp -69.1 -36.83 78.0 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.556 ' OD1' ' OD1' ' A' ' 64' ' ' ASN . 53.2 t0 -85.36 109.49 18.44 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.944 -178.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.71 -37.6 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.619 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.556 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 38.3 p-10 -91.07 7.55 39.9 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' ASN . . . 36.84 26.64 0.01 OUTLIER Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.639 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 55.7 p30 -61.4 -32.2 72.13 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.639 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.56 -5.02 60.13 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 96.5 mt-10 -112.69 151.56 30.06 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.482 HG21 HD22 ' A' ' 33' ' ' LEU . 41.5 t -110.19 133.5 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.475 0.655 . . . . 0.0 110.8 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 56.9 t0 -98.76 152.93 19.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.977 -1.011 . . . . 0.0 108.801 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.447 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 76.3 t80 -50.98 -40.78 58.72 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.271 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.443 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.5 tt0 -58.46 -41.03 84.28 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.941 -0.704 . . . . 0.0 110.14 178.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.425 ' O ' HG22 ' A' ' 76' ' ' VAL . 96.6 mt-10 -68.27 -39.36 82.19 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.484 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.37 -45.33 91.66 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.476 HG13 ' HB1' ' B' ' 79' ' ' ALA . 3.8 p -60.04 -39.05 79.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.784 -178.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.7 m -76.61 -32.89 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.797 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.402 ' C ' HD23 ' A' ' 77' ' ' LEU . 9.6 tt -61.32 -41.32 96.82 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.366 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 m -72.28 -32.31 42.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.481 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -61.75 -36.8 82.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.602 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.8 85.46 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.968 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.3 mp -66.53 -35.43 80.22 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.715 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.528 HG23 ' CG ' ' B' ' 8' ' ' MET . 55.0 m -53.04 -36.17 60.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.304 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.3 t -57.46 -36.89 54.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.085 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.25 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.075 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -56.04 -38.97 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.004 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -60.38 -42.71 96.42 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -63.45 -41.73 98.65 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.756 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -66.09 -35.47 80.61 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.596 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -53.51 -38.85 64.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.957 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.07 -35.11 61.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.439 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.51 -32.69 72.74 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.479 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -100.33 120.22 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.7 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.587 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.314 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -57.25 -36.97 71.63 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.211 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.63 -42.6 99.12 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.472 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.47 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 38.7 tp -64.12 -39.75 94.71 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 120.334 -0.547 . . . . 0.0 109.978 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.496 ' OE2' ' O ' ' A' ' 40' ' ' GLU . 97.6 mt-10 -63.83 -39.33 93.96 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.011 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.7 m -64.8 -42.54 94.95 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.641 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.94 -41.33 87.17 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.661 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.528 ' CG ' HG23 ' A' ' 82' ' ' THR . 65.3 ttp -62.11 -41.1 97.88 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.616 -0.433 . . . . 0.0 112.014 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.79 -29.77 67.07 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.016 0.436 . . . . 0.0 110.041 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -54.56 -35.83 63.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.477 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.413 ' CD2' HD11 ' A' ' 4' ' ' LEU . 57.9 mt -59.12 -40.57 85.82 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.233 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -63.89 -47.43 90.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.499 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.43 -41.59 97.42 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.486 -0.486 . . . . 0.0 112.256 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.8 m -71.91 -38.26 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 119.833 -0.747 . . . . 0.0 110.014 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.31 -47.48 85.86 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.859 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.463 ' HB3' ' HZ1' ' B' ' 25' ' ' LYS . 7.3 m-70 -61.77 -46.88 87.67 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.539 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.24 -47.67 75.96 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.096 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -62.55 -47.61 83.11 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.65 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.422 ' O ' ' O ' ' B' ' 22' ' ' GLU . 85.9 p -65.16 -35.62 81.67 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.236 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.07 -38.24 95.71 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.975 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.59 -41.05 89.4 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.431 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.3 mt-10 -124.16 152.51 42.74 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.063 0.459 . . . . 0.0 111.416 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.27 -163.39 0.13 Allowed Glycine 0 CA--C 1.519 0.339 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.51 136.97 47.79 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.421 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.463 ' HZ1' ' HB3' ' B' ' 16' ' ' HIS . 41.6 tttp -59.61 -37.83 79.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.293 0.568 . . . . 0.0 110.55 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -65.11 -27.46 68.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.343 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -112.96 143.37 44.36 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.684 0.754 . . . . 0.0 112.234 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.689 HD13 ' N ' ' B' ' 29' ' ' SER . 1.0 OUTLIER -103.96 124.39 48.91 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 114.51 -1.223 . . . . 0.0 107.876 179.228 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.689 ' N ' HD13 ' B' ' 28' ' ' LEU . 86.1 p -104.57 154.55 19.79 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.959 0.409 . . . . 0.0 110.601 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -57.4 -37.65 73.05 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.486 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -55.82 -41.43 74.21 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 118.695 -1.202 . . . . 0.0 108.512 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 98.6 mt-10 -66.44 -38.43 87.39 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.717 177.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.49 ' CD2' ' SD ' ' B' ' 58' ' ' MET . 23.7 tp -65.48 -49.11 70.28 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -60.8 -46.81 89.06 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.263 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.85 -38.45 86.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.669 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.534 HD21 ' OE1' ' B' ' 40' ' ' GLU . 9.8 tt -64.75 -44.2 90.86 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.437 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.438 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -69.11 -43.42 74.51 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.863 179.174 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -63.33 -45.4 91.44 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.705 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.2 m -70.44 -42.37 71.62 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.534 ' OE1' HD21 ' B' ' 36' ' ' LEU . 98.3 mt-10 -74.67 -33.76 62.55 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' B' ' 41' ' ' LEU . 62.4 mt -97.57 147.09 24.64 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -177.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.601 ' O ' ' N ' ' B' ' 44' ' ' PHE . 24.9 m -54.78 -29.7 54.84 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 113.448 -1.706 . . . . 0.0 109.095 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.615 ' O ' ' N ' ' B' ' 47' ' ' ALA . . . -45.14 -11.18 0.02 OUTLIER Glycine 0 CA--C 1.522 0.52 0 N-CA-C 109.974 -1.25 . . . . 0.0 109.974 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.601 ' N ' ' O ' ' B' ' 42' ' ' SER . 53.7 t80 -50.13 -42.9 51.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.01 -40.66 94.41 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.215 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -102.17 8.41 40.64 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.244 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.615 ' N ' ' O ' ' B' ' 43' ' ' GLY . . . -60.6 -30.84 70.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -177.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.713 ' O ' HG12 ' B' ' 51' ' ' VAL . 92.9 mt-30 -31.05 -101.79 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 55.6 pttt -58.33 -34.78 71.0 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.334 0.588 . . . . 0.0 110.66 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.06 -32.47 54.7 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.975 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.72 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.4 p -52.48 -34.74 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.812 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.661 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 52.8 p30 -59.52 -33.84 71.88 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.804 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.661 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -58.04 -27.5 63.63 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.72 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.2 p -54.09 -36.88 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.549 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -65.61 -42.69 91.29 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 119.584 -0.846 . . . . 0.0 110.764 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.53 -40.36 96.81 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.471 ' O ' HD13 ' B' ' 61' ' ' LEU . 12.0 m -72.42 -32.71 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.49 ' SD ' ' CD2' ' B' ' 33' ' ' LEU . 92.4 mmm -57.53 -38.39 74.61 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.328 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.33 -46.01 92.05 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.946 -0.702 . . . . 0.0 112.076 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -70.1 -42.3 72.88 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.471 HD13 ' O ' ' B' ' 57' ' ' VAL . 7.0 mp -68.96 -36.9 78.44 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.553 ' OD1' ' OD1' ' B' ' 64' ' ' ASN . 53.2 t0 -85.29 109.41 18.34 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.384 -0.926 . . . . 0.0 110.954 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.81 -37.43 86.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.638 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.555 ' O ' ' N ' ' B' ' 66' ' ' ASP . 38.4 p-10 -91.13 7.54 40.06 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' B' ' 64' ' ' ASN . . . 36.88 26.58 0.01 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.643 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 55.3 p30 -61.43 -32.18 72.14 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.643 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.62 -5.0 60.0 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -178.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 96.5 mt-10 -112.77 151.56 30.18 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.167 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.482 HG21 HD22 ' B' ' 33' ' ' LEU . 41.9 t -110.18 133.51 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.431 0.634 . . . . 0.0 110.766 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 56.8 t0 -98.77 152.87 19.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.827 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.449 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 76.8 t80 -50.95 -40.8 58.31 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.439 -0.904 . . . . 0.0 109.246 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.432 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.5 tt0 -58.43 -41.09 84.29 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.09 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.423 ' O ' HG22 ' B' ' 76' ' ' VAL . 96.6 mt-10 -68.19 -39.46 82.5 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.47 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.41 -45.2 92.09 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.481 HG13 ' HB1' ' A' ' 79' ' ' ALA . 3.7 p -60.08 -39.1 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.779 -178.175 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 73' ' ' GLU . 32.7 m -76.5 -32.98 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.35 -0.54 . . . . 0.0 109.808 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.404 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.6 tt -61.28 -41.29 96.7 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.485 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 m -72.21 -32.37 42.77 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 C-N-CA 120.214 -0.595 . . . . 0.0 111.095 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.476 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -61.82 -36.71 81.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.561 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.71 -45.75 85.22 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.895 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.498 ' H ' HD12 ' B' ' 81' ' ' LEU . 6.3 mp -66.47 -35.54 80.53 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.666 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.527 HG23 ' CG ' ' A' ' 8' ' ' MET . 55.0 m -53.03 -36.07 60.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.387 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.0 t -57.42 -36.96 55.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.171 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.32 73.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -55.93 -39.01 71.06 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.964 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -60.32 -42.67 96.09 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.914 -0.714 . . . . 0.0 109.1 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -63.57 -41.61 98.38 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.771 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -66.11 -35.52 80.71 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.599 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -53.47 -38.8 63.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.05 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.11 -35.08 61.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.505 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.48 -32.7 72.72 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.482 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.31 120.18 39.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.555 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 34.8 t . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.528 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 40' ' ' GLU . 39.5 t . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.661 0.267 . . . . 0.0 110.673 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.86 -38.12 89.58 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.196 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.54 -41.85 97.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.784 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.93 -41.49 91.29 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.775 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -61.67 -43.5 98.75 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.79 -40.06 83.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.241 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.628 ' CG ' HG23 ' B' ' 82' ' ' THR . 64.9 ttp -62.03 -43.38 98.96 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.59 -31.05 67.69 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 120.964 0.411 . . . . 0.0 110.138 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -55.79 -36.46 67.42 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.401 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.3 -41.85 97.67 Favored 'General case' 0 C--N 1.343 0.326 0 C-N-CA 118.813 -1.155 . . . . 0.0 110.547 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.494 HD12 ' CE ' ' B' ' 85' ' ' MET . 76.6 mt -65.89 -43.59 92.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.147 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -61.03 -41.5 96.69 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.199 -0.601 . . . . 0.0 111.979 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 m -74.77 -39.05 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.965 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -64.18 -51.25 64.7 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.41 0.624 . . . . 0.0 110.528 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.475 ' NE2' ' CE ' ' A' ' 25' ' ' LYS . 81.7 t60 -64.03 -47.52 79.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.642 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.2 95.43 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.14 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.592 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 83.7 t60 -62.76 -46.27 88.81 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.701 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.489 ' O ' ' O ' ' A' ' 22' ' ' GLU . 23.0 t -60.32 -41.11 92.81 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.337 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.32 -39.79 98.22 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.734 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.1 -42.21 94.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.519 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -129.07 149.65 50.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.833 0.349 . . . . 0.0 111.634 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.54 -158.1 32.51 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.469 ' O ' ' O ' ' A' ' 27' ' ' LYS . 88.6 m-20 -74.29 133.8 42.6 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' CE ' ' NE2' ' A' ' 16' ' ' HIS . 27.1 tttt -60.94 -40.48 93.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.23 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -66.24 -32.89 74.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.442 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 24' ' ' ASP . 97.9 mttt -120.52 145.64 47.1 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -108.73 133.46 52.78 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.113 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -103.15 152.35 21.54 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' NZ ' ' CG ' ' A' ' 58' ' ' MET . 46.8 tttp -56.1 -37.24 69.11 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 118.938 -1.105 . . . . 0.0 110.529 -178.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.37 -40.89 71.88 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 118.863 -1.135 . . . . 0.0 108.09 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.592 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 96.3 mt-10 -67.66 -39.05 84.56 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.81 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.3 tp -64.58 -45.07 88.58 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -59.68 -47.21 86.54 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 119.629 -0.828 . . . . 0.0 111.341 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -65.14 -41.37 94.84 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.418 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.429 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 24.9 tp -62.17 -55.62 26.86 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.0 tp -69.13 -41.73 76.95 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.743 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -64.33 -41.52 96.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.998 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.3 m -69.25 -43.66 73.52 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' B' ' 2' ' ' SER . 76.9 mm-40 -75.33 -32.24 60.86 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.591 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.3 tp -100.85 138.06 38.41 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.578 0.704 . . . . 0.0 112.393 -177.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.604 ' O ' ' N ' ' A' ' 44' ' ' PHE . 25.7 m -51.28 -27.99 10.79 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.283 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.591 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -43.91 -10.86 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.604 ' N ' ' O ' ' A' ' 42' ' ' SER . 66.6 t80 -47.33 -35.55 8.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.9 tp -53.77 -34.9 60.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.605 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.52 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 43.1 p30 -79.26 11.19 3.02 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.96 0.409 . . . . 0.0 110.244 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -58.68 -23.45 59.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.524 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.669 ' O ' HG12 ' A' ' 51' ' ' VAL . 93.7 mt-30 -54.35 -155.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.812 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -56.67 -28.52 60.87 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.92 -33.99 62.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.198 0.523 . . . . 0.0 109.782 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 48' ' ' GLN . 5.9 p -52.47 -28.64 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.352 -179.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -53.4 -35.21 60.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.836 0.35 . . . . 0.0 110.692 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.69 -27.95 59.9 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.062 0.458 . . . . 0.0 110.232 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.9 p -52.41 -37.9 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -65.62 -41.45 92.69 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.571 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -62.56 -39.67 94.39 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 54' ' ' VAL . 16.3 m -71.03 -30.45 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 120.184 -0.606 . . . . 0.0 112.572 -178.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.476 ' CG ' ' NZ ' ' A' ' 30' ' ' LYS . 95.1 mmm -56.43 -38.07 71.07 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.83 -43.27 98.48 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.664 -0.814 . . . . 0.0 111.543 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.06 -41.25 74.43 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.497 -0.481 . . . . 0.0 112.141 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.26 -36.55 81.81 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.512 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 50.3 t0 -84.61 103.84 14.08 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.819 -0.752 . . . . 0.0 111.194 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.69 -37.41 84.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.499 0.666 . . . . 0.0 109.629 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -58.75 -37.76 76.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.9 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.25 5.15 87.35 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 107.819 -2.112 . . . . 0.0 107.819 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.642 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 49.2 p30 -63.85 -32.94 74.63 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 114.127 -1.036 . . . . 0.0 112.502 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.642 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.88 -2.01 61.64 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.41 ' N ' ' OE1' ' A' ' 68' ' ' GLU . 59.0 mp0 -109.55 154.36 22.83 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -106.29 132.92 52.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.689 0.757 . . . . 0.0 112.164 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -102.24 160.64 14.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.299 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -52.39 -43.29 64.67 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.085 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.81 -41.48 91.34 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.221 -0.591 . . . . 0.0 110.385 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.12 -37.58 86.07 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.124 0.488 . . . . 0.0 110.547 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.423 ' O ' HG13 ' A' ' 78' ' ' VAL . 79.1 t80 -63.27 -42.88 99.16 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 121.524 0.678 . . . . 0.0 111.394 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.736 ' CG1' ' HB1' ' B' ' 79' ' ' ALA . 0.9 OUTLIER -62.12 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.328 -179.053 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.9 m -72.09 -33.11 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.795 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.461 HD23 ' C ' ' A' ' 77' ' ' LEU . 10.1 tt -61.19 -42.72 99.09 Favored 'General case' 0 CA--C 1.527 0.078 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.458 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 74' ' ' TYR . 22.9 m -72.41 -31.14 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.373 0.606 . . . . 0.0 111.355 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.734 ' HB1' ' CG1' ' B' ' 75' ' ' VAL . . . -59.24 -40.59 86.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.217 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.41 96.65 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.669 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.505 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.4 mp -65.4 -36.55 84.3 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.382 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.626 HG23 ' CG ' ' B' ' 8' ' ' MET . 44.2 m -53.11 -37.59 61.88 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.38 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.53 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 75.0 t -59.9 -36.24 65.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.603 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.83 72.94 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.494 ' HE1' HD12 ' B' ' 12' ' ' ILE . 2.6 ttp -56.82 -38.22 72.3 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 119.468 -0.893 . . . . 0.0 110.566 -178.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.69 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 31.4 p-10 -63.61 -40.04 95.9 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 118.975 -1.09 . . . . 0.0 110.252 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.69 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 20.6 t-20 -62.86 -45.5 92.29 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.021 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.95 -48.99 66.87 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.824 0.821 . . . . 0.0 110.846 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -55.69 -38.51 69.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.027 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -53.86 -33.67 57.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.708 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.21 -33.42 67.49 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.449 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -100.44 120.35 39.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.504 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.534 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 39.2 t -107.49 138.21 44.11 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.711 0.291 . . . . 0.0 110.698 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.97 -38.06 89.6 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.167 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.57 -41.81 97.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.709 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.94 -41.61 91.09 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.743 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -61.64 -43.4 98.94 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.88 -40.06 83.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.227 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.626 ' CG ' HG23 ' A' ' 82' ' ' THR . 64.9 ttp -62.0 -43.38 98.96 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.55 -31.05 67.61 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 120.96 0.409 . . . . 0.0 110.178 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 34.8 m -55.9 -36.4 67.64 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.388 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.23 -41.99 97.83 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 118.877 -1.129 . . . . 0.0 110.498 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.494 HD12 ' HE1' ' A' ' 85' ' ' MET . 76.5 mt -65.73 -43.65 93.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.195 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -61.04 -41.6 96.89 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.87 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.7 m -74.78 -39.08 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -64.14 -51.18 65.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.367 0.604 . . . . 0.0 110.56 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.476 ' NE2' ' CE ' ' B' ' 25' ' ' LYS . 81.7 t60 -64.06 -47.51 79.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.615 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.29 -43.22 95.43 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.104 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.588 ' NE2' ' O ' ' B' ' 32' ' ' GLU . 83.8 t60 -62.83 -46.35 88.35 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.634 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.472 ' O ' ' O ' ' B' ' 22' ' ' GLU . 23.0 t -60.25 -41.06 92.38 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.387 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.38 -39.82 98.21 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.714 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.97 -42.26 93.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.523 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -129.11 149.59 50.86 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.642 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.63 -158.06 32.96 Favored Glycine 0 CA--C 1.518 0.276 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 178.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.466 ' O ' ' O ' ' B' ' 27' ' ' LYS . 88.6 m-20 -74.35 133.84 42.52 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.476 ' CE ' ' NE2' ' B' ' 16' ' ' HIS . 27.2 tttt -60.97 -40.47 93.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.172 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -66.14 -33.04 74.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.453 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' B' ' 24' ' ' ASP . 97.8 mttt -120.43 145.68 46.98 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.584 0.707 . . . . 0.0 112.718 -178.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tt -108.73 133.45 52.79 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.137 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -103.21 152.31 21.62 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.475 ' NZ ' ' CG ' ' B' ' 58' ' ' MET . 46.8 tttp -56.17 -37.2 69.24 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 118.916 -1.114 . . . . 0.0 110.423 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.36 -40.92 71.87 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 118.844 -1.143 . . . . 0.0 108.088 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.588 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 96.3 mt-10 -67.53 -39.15 85.07 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.823 177.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 37.4 tp -64.61 -45.0 88.77 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -59.68 -47.3 86.18 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.346 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -65.02 -41.43 95.31 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.441 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.432 ' HB2' ' CD2' ' B' ' 18' ' ' HIS . 25.1 tp -62.12 -55.67 26.48 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.4 HD21 HD22 ' B' ' 81' ' ' LEU . 33.8 tp -69.12 -41.67 77.08 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.788 -177.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -64.3 -41.58 96.79 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.983 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.1 m -69.33 -43.47 73.65 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 2' ' ' SER . 77.0 mm-40 -75.41 -32.21 60.67 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -178.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.595 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.3 tp -100.84 138.12 38.32 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.575 0.703 . . . . 0.0 112.361 -177.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.613 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.4 m -51.31 -28.0 10.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.32 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.595 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -43.85 -10.89 0.01 OUTLIER Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.613 ' N ' ' O ' ' B' ' 42' ' ' SER . 66.5 t80 -47.35 -35.53 8.26 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -53.74 -34.98 60.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.601 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.513 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 42.9 p30 -79.23 11.22 2.98 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.012 0.434 . . . . 0.0 110.279 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -58.66 -23.44 59.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.584 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.672 ' O ' HG12 ' B' ' 51' ' ' VAL . 93.7 mt-30 -54.33 -155.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.791 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -56.73 -28.53 61.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.879 -179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.93 -34.03 62.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.14 0.495 . . . . 0.0 109.751 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.672 HG12 ' O ' ' B' ' 48' ' ' GLN . 5.9 p -52.35 -28.69 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.4 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -53.4 -35.26 60.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.762 0.315 . . . . 0.0 110.682 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.65 -27.92 59.53 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.108 0.48 . . . . 0.0 110.266 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.598 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.0 p -52.51 -37.81 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -65.63 -41.49 92.6 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.529 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -62.47 -39.69 94.25 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 54' ' ' VAL . 16.1 m -71.04 -30.49 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.475 ' CG ' ' NZ ' ' B' ' 30' ' ' LYS . 95.2 mmm -56.33 -38.09 70.85 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.97 -43.17 99.17 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.502 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.99 -41.2 74.7 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.549 -0.46 . . . . 0.0 112.203 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.36 -36.57 81.67 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.518 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 50.2 t0 -84.52 103.8 13.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.802 -0.759 . . . . 0.0 111.247 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.67 -37.44 84.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.443 0.64 . . . . 0.0 109.639 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -58.68 -37.77 76.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.965 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.28 5.18 87.42 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 107.772 -2.131 . . . . 0.0 107.772 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.644 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 49.1 p30 -63.85 -33.0 74.72 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.124 -1.038 . . . . 0.0 112.459 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.644 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.83 -1.95 61.71 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' B' ' 68' ' ' GLU . 59.0 mp0 -109.49 154.42 22.7 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -106.39 132.92 52.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.717 0.77 . . . . 0.0 112.094 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -102.25 160.67 14.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.287 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -52.4 -43.3 64.69 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.045 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.73 -41.58 91.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.36 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -66.12 -37.53 85.95 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.589 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.427 ' O ' HG13 ' B' ' 78' ' ' VAL . 78.8 t80 -63.21 -42.99 99.38 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.423 0.63 . . . . 0.0 111.398 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.734 ' CG1' ' HB1' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -62.12 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.348 -179.02 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 24.4 m -72.05 -33.21 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.817 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.459 HD23 ' C ' ' B' ' 77' ' ' LEU . 10.1 tt -61.14 -42.76 99.13 Favored 'General case' 0 CA--C 1.526 0.04 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.52 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.427 HG13 ' O ' ' B' ' 74' ' ' TYR . 22.7 m -72.36 -31.15 37.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.397 0.618 . . . . 0.0 111.42 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.736 ' HB1' ' CG1' ' A' ' 75' ' ' VAL . . . -59.21 -40.59 86.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.155 -178.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.43 96.47 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.561 -0.855 . . . . 0.0 110.585 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.511 ' H ' HD12 ' B' ' 81' ' ' LEU . 6.4 mp -65.36 -36.59 84.48 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.394 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.628 HG23 ' CG ' ' A' ' 8' ' ' MET . 43.8 m -53.03 -37.65 61.73 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.364 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.528 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 75.5 t -59.93 -36.22 65.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.566 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.9 -31.8 72.94 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.494 ' CE ' HD12 ' A' ' 12' ' ' ILE . 2.6 ttp -56.84 -38.13 72.23 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 119.47 -0.892 . . . . 0.0 110.582 -178.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.688 ' OD1' ' N ' ' B' ' 87' ' ' ASN . 31.6 p-10 -63.72 -39.99 95.67 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.078 -1.049 . . . . 0.0 110.205 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.688 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 20.5 t-20 -62.9 -45.55 91.99 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.96 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -66.81 -49.08 66.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.859 0.838 . . . . 0.0 110.919 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -55.64 -38.45 69.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.121 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -53.86 -33.75 57.32 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.722 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.14 -33.39 67.35 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.426 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -100.58 120.41 40.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.487 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 m . . . . . 0 C--O 1.239 0.507 0 CA-C-O 120.937 0.398 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.95 -35.85 75.84 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.075 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.403 ' CD1' ' CD2' ' B' ' 11' ' ' LEU . 39.5 tp -62.77 -41.78 99.39 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 119.996 -0.681 . . . . 0.0 110.013 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.01 -41.49 98.13 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.6 m -64.38 -38.85 92.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.277 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -63.9 -43.51 95.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.635 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.532 ' HB2' HG23 ' B' ' 82' ' ' THR . 11.6 ptp -62.65 -38.87 91.98 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.393 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -56.93 -32.64 66.17 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.941 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.596 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 64.4 p -63.71 -31.89 73.21 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.504 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.523 HD12 HG21 ' B' ' 82' ' ' THR . 52.3 mt -63.44 -42.33 98.68 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.948 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -64.81 -48.04 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.05 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -60.25 -43.24 96.28 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 10' ' ' THR . 13.7 m -72.39 -37.37 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.78 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -61.85 -53.16 59.67 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.6 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -64.29 -46.45 83.59 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -50.81 63.31 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 119.674 -0.811 . . . . 0.0 112.129 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.682 ' CG ' HD13 ' A' ' 36' ' ' LEU . 74.3 m80 -65.06 -49.24 70.85 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.153 -0.619 . . . . 0.0 112.103 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 22' ' ' GLU . 85.9 p -65.91 -33.76 76.57 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.827 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.09 -38.04 94.87 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.767 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.61 -40.53 83.54 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.57 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.8 mm-40 -124.77 149.36 47.42 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.947 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.78 -167.77 44.72 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.2 138.72 45.81 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -60.44 -38.38 83.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.151 0.501 . . . . 0.0 110.524 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -66.84 -32.44 73.71 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -117.21 145.99 43.54 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -106.04 129.62 54.12 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.8 m -104.59 157.04 17.44 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.167 0.508 . . . . 0.0 111.985 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HZ1' HG13 ' A' ' 54' ' ' VAL . 7.5 tptp -54.55 -41.8 70.22 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.598 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.86 -40.87 90.08 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.198 -1.001 . . . . 0.0 109.705 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.57 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.5 mt-10 -64.84 -39.15 93.11 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.229 0.538 . . . . 0.0 109.947 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' CD2' ' SD ' ' A' ' 58' ' ' MET . 24.1 tp -63.47 -42.77 98.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.741 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -61.13 -45.41 94.8 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.143 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.86 -41.64 86.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.945 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.682 HD13 ' CG ' ' A' ' 18' ' ' HIS . 52.3 tp -65.86 -49.1 69.33 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 119.956 -0.698 . . . . 0.0 112.425 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 2.5 mm? -69.95 -41.08 75.03 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 119.714 -0.794 . . . . 0.0 112.018 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.64 -43.15 97.62 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.749 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.72 -42.73 73.61 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.667 ' OE2' HD11 ' A' ' 36' ' ' LEU . 98.0 mt-10 -73.84 -31.98 63.46 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.495 HD11 HD13 ' A' ' 81' ' ' LEU . 68.3 mt -94.1 146.81 23.7 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 122.346 1.069 . . . . 0.0 113.83 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' PHE . 87.1 p -57.88 -25.4 60.71 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 113.778 -1.556 . . . . 0.0 109.228 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 47' ' ' ALA . . . -46.92 -13.1 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 42' ' ' SER . 63.1 t80 -51.32 -44.36 61.95 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.01 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.9 tp -63.34 -39.11 93.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.113 0.482 . . . . 0.0 110.907 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -98.32 15.79 23.53 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.412 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.597 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -55.05 -30.63 60.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -177.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.603 ' O ' HG12 ' A' ' 51' ' ' VAL . 93.5 mt-30 -32.65 -111.13 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -178.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -57.66 -31.49 66.37 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.921 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -53.25 -33.83 54.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.026 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.721 ' O ' HG12 ' A' ' 54' ' ' VAL . 7.3 p -52.44 -36.76 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.451 -179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -57.13 -36.89 71.24 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.085 0.469 . . . . 0.0 110.687 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.99 -28.11 64.1 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.171 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 51' ' ' VAL . 3.6 p -54.82 -36.76 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 C-N-CA 119.357 -0.937 . . . . 0.0 109.073 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -65.63 -42.66 91.23 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.927 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.48 -40.81 98.09 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 m -72.7 -34.11 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.453 ' SD ' ' CD2' ' A' ' 33' ' ' LEU . 94.2 mmm -59.7 -37.82 79.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -179.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -60.3 -43.47 96.29 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.944 -0.703 . . . . 0.0 112.27 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.64 -41.23 75.87 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.142 -0.623 . . . . 0.0 112.111 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.92 -37.52 81.76 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.501 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 52.1 t0 -85.14 100.16 11.55 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.479 -0.888 . . . . 0.0 110.941 -179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -68.54 -35.96 78.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.33 0.586 . . . . 0.0 109.979 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -59.15 -38.59 80.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.784 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.06 3.43 90.58 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 107.906 -2.078 . . . . 0.0 107.906 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.7 p30 -63.46 -33.82 76.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 114.181 -1.009 . . . . 0.0 112.729 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.653 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.91 -0.63 64.72 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.97 149.9 28.54 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.435 HG13 ' HB2' ' A' ' 73' ' ' GLU . 38.4 t -112.99 132.62 61.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.218 0.532 . . . . 0.0 111.065 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 47.5 p30 -106.15 171.03 7.57 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -53.86 -42.14 68.23 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.841 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.483 ' O ' HG12 ' A' ' 75' ' ' VAL . 51.1 tt0 -59.15 -42.39 90.58 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.842 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 76' ' ' VAL . 95.4 mt-10 -68.57 -38.08 80.42 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.476 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -63.25 -44.41 95.28 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.2 p -59.89 -39.22 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.07 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.858 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 73' ' ' GLU . 31.9 m -76.42 -33.18 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.889 178.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.11 -42.32 94.48 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.468 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.5 m -73.34 -32.23 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.04 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.71 94.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.735 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.22 92.96 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.245 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.554 ' CD1' HD12 ' A' ' 37' ' ' LEU . 75.0 mt -64.95 -36.8 85.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.554 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.526 HG23 ' HB2' ' B' ' 8' ' ' MET . 48.6 m -54.61 -36.82 64.87 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.111 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.84 -35.09 54.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.045 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.26 80.39 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.503 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.2 ttt -60.0 -39.44 85.79 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.378 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -58.23 -42.07 85.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.1 -41.84 97.4 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.375 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.8 -41.59 95.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.463 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -53.81 -39.4 65.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.062 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -54.42 -34.7 61.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.076 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.63 -33.21 68.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.507 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -99.68 120.51 39.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.524 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.602 179.896 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.4 m -62.69 155.63 25.85 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 120.899 0.381 . . . . 0.0 110.503 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.94 -35.93 75.99 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.041 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 39.5 tp -62.77 -41.74 99.37 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.049 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.99 -41.54 98.15 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.5 m -64.37 -38.97 92.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.267 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.596 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -63.8 -43.36 96.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.643 -178.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.526 ' HB2' HG23 ' A' ' 82' ' ' THR . 11.4 ptp -62.82 -38.84 92.32 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.316 -178.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.03 -32.55 66.29 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.95 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.605 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 66.5 p -63.72 -31.87 73.17 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.551 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.525 HD12 HG21 ' A' ' 82' ' ' THR . 52.0 mt -63.38 -42.35 98.83 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.963 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.7 mt -64.94 -47.93 86.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.065 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -60.28 -43.23 96.41 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.5 HG13 ' O ' ' B' ' 10' ' ' THR . 13.7 m -72.47 -37.3 56.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.754 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -61.89 -53.15 59.81 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.566 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -64.27 -46.55 83.21 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.73 -50.84 63.36 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 119.742 -0.783 . . . . 0.0 111.991 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.691 ' CG ' HD13 ' B' ' 36' ' ' LEU . 74.3 m80 -65.05 -49.21 70.98 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.143 -0.623 . . . . 0.0 112.167 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.449 ' O ' ' O ' ' B' ' 22' ' ' GLU . 85.8 p -65.93 -33.7 76.42 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.19 -37.98 94.67 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.719 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.5 -40.83 83.89 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.894 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.572 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.8 mm-40 -124.6 149.35 47.14 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.009 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.68 -167.78 44.34 Favored Glycine 0 CA--C 1.518 0.279 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.1 138.71 45.98 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -60.45 -38.39 84.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.136 0.493 . . . . 0.0 110.52 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -66.92 -32.28 73.43 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -117.41 146.1 43.67 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -106.11 129.58 54.17 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.6 m -104.53 157.03 17.45 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.261 0.553 . . . . 0.0 111.92 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.416 ' HZ1' HG13 ' B' ' 54' ' ' VAL . 7.5 tptp -54.61 -41.75 70.33 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.627 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.97 -40.77 90.2 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.697 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.572 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.4 mt-10 -64.76 -39.19 93.21 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.287 0.565 . . . . 0.0 109.999 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.456 ' CD2' ' SD ' ' B' ' 58' ' ' MET . 24.1 tp -63.47 -42.68 98.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.806 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -61.14 -45.47 94.53 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.116 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.83 -41.59 87.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.013 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.691 HD13 ' CG ' ' B' ' 18' ' ' HIS . 52.2 tp -65.91 -49.13 69.09 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 119.963 -0.695 . . . . 0.0 112.447 -178.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 2.5 mm? -69.91 -41.08 75.15 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 119.758 -0.777 . . . . 0.0 112.043 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.68 -43.1 97.64 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.708 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.2 m -69.73 -42.82 73.47 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.665 ' OE2' HD11 ' B' ' 36' ' ' LEU . 98.0 mt-10 -73.78 -32.1 63.61 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.505 HD11 HD13 ' B' ' 81' ' ' LEU . 68.6 mt -93.94 146.91 23.58 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 122.43 1.11 . . . . 0.0 113.79 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.526 ' O ' ' N ' ' B' ' 44' ' ' PHE . 87.0 p -57.93 -25.51 61.01 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 113.84 -1.527 . . . . 0.0 109.246 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' B' ' 47' ' ' ALA . . . -46.84 -13.05 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' B' ' 42' ' ' SER . 63.3 t80 -51.32 -44.43 61.96 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 120.241 -0.584 . . . . 0.0 109.962 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 27.8 tp -63.32 -39.08 93.56 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.149 0.5 . . . . 0.0 110.938 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -98.29 15.76 23.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.401 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.598 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -55.1 -30.57 59.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.598 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.6 mt-30 -32.74 -111.09 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -57.63 -31.5 66.33 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.952 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -53.37 -33.74 54.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.0 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.718 ' O ' HG12 ' B' ' 54' ' ' VAL . 7.2 p -52.54 -36.71 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.414 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -57.12 -36.87 71.18 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.751 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.11 -27.91 64.14 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.176 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.718 HG12 ' O ' ' B' ' 51' ' ' VAL . 3.6 p -54.91 -36.78 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 C-N-CA 119.421 -0.911 . . . . 0.0 108.987 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -65.7 -42.63 90.96 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 119.874 -0.731 . . . . 0.0 110.936 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.53 -40.82 98.02 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 m -72.58 -34.09 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.456 ' SD ' ' CD2' ' B' ' 33' ' ' LEU . 94.3 mmm -59.63 -37.83 79.71 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -60.34 -43.44 96.44 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.27 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.64 -41.25 75.84 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.148 -0.621 . . . . 0.0 112.095 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.78 -37.73 82.44 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.512 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 52.0 t0 -85.04 100.18 11.51 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.987 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -68.56 -36.06 78.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.303 0.573 . . . . 0.0 109.938 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -59.0 -38.68 79.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.75 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.1 3.46 90.56 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.0 p30 -63.55 -33.8 76.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.194 -1.003 . . . . 0.0 112.654 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.645 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.92 -0.65 64.72 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.89 149.94 28.42 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.438 HG13 ' HB2' ' B' ' 73' ' ' GLU . 38.6 t -113.07 132.46 61.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.224 0.535 . . . . 0.0 111.049 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.439 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 47.5 p30 -106.05 170.99 7.58 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 177.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -53.8 -42.03 67.93 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.864 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.484 ' O ' HG12 ' B' ' 75' ' ' VAL . 51.0 tt0 -59.26 -42.41 91.08 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.764 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.445 ' O ' HG22 ' B' ' 76' ' ' VAL . 95.4 mt-10 -68.52 -38.13 80.63 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.487 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -63.23 -44.46 95.19 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.484 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.2 p -59.8 -39.22 79.26 Favored 'Isoleucine or valine' 0 C--O 1.23 0.071 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.934 -178.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.445 HG22 ' O ' ' B' ' 73' ' ' GLU . 31.3 m -76.36 -33.23 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.008 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.1 -42.27 94.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.478 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -73.35 -32.3 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.006 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.72 94.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.708 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.13 -43.08 93.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.271 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.554 ' CD1' HD12 ' B' ' 37' ' ' LEU . 75.5 mt -65.01 -36.81 85.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.502 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.532 HG23 ' HB2' ' A' ' 8' ' ' MET . 47.0 m -54.69 -36.79 65.05 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.065 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.86 -35.08 54.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.031 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.33 80.31 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.503 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 25.2 ttt -60.05 -39.44 85.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.334 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -58.26 -42.08 85.65 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.324 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.02 -41.87 97.37 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.367 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -60.77 -41.62 95.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.47 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -53.8 -39.41 65.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.047 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -54.43 -34.67 61.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.083 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.65 -33.18 68.04 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -99.63 120.43 39.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.623 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.541 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.491 ' OG ' ' CG ' ' B' ' 40' ' ' GLU . 32.9 t . . . . . 0 C--O 1.236 0.374 0 CA-C-O 120.79 0.328 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.69 -36.99 80.15 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.933 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.9 tp -61.23 -42.04 97.92 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.172 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.73 -42.19 91.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.526 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.5 m -63.26 -42.82 99.21 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.122 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.56 -39.87 84.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.06 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.595 ' CG ' HG23 ' B' ' 82' ' ' THR . 60.8 ttp -61.05 -42.04 97.74 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.06 -31.27 66.89 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.07 0.462 . . . . 0.0 110.06 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.401 ' O ' HG13 ' A' ' 14' ' ' VAL . 35.1 m -56.3 -35.83 67.96 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.843 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.6 mt -59.6 -42.37 92.41 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 118.997 -1.081 . . . . 0.0 111.159 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.1 mt -65.96 -46.35 88.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.228 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -61.65 -41.63 97.79 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.585 -0.446 . . . . 0.0 112.16 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.432 ' C ' ' HD1' ' A' ' 18' ' ' HIS . 16.3 m -73.04 -38.5 55.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.364 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -60.84 -46.85 88.95 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.677 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.81 -48.0 78.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.994 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.19 -51.21 56.35 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.006 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.624 ' CG ' HD13 ' A' ' 36' ' ' LEU . 75.5 m80 -61.51 -46.37 90.26 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 t -61.49 -40.6 95.17 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.35 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.9 -36.26 93.06 Favored Glycine 0 CA--C 1.522 0.529 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.556 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.44 -41.68 85.62 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.492 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -129.66 144.74 51.42 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.608 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.54 -163.75 54.78 Favored Glycine 0 C--N 1.331 0.298 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.42 137.37 48.25 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -61.83 -38.82 89.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.071 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -66.41 -34.18 77.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.67 147.18 48.71 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -106.68 125.6 51.21 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.677 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.6 p -87.06 159.08 19.06 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.797 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -57.81 -39.32 77.29 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.147 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -59.33 -42.03 90.5 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.476 -0.89 . . . . 0.0 109.818 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.492 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 98.0 mt-10 -65.65 -38.73 90.17 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 109.735 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.1 tp -62.82 -42.14 99.6 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.588 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.14 -43.22 99.23 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.451 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.65 -40.16 94.95 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.653 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.624 HD13 ' CG ' ' A' ' 18' ' ' HIS . 30.2 tp -62.69 -48.03 81.04 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.961 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.647 HD13 ' CD1' ' A' ' 81' ' ' LEU . 59.9 mt -68.39 -36.9 79.82 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.922 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.57 -44.54 96.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.587 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.5 m -80.76 -53.62 6.34 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.588 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 49.5 mp0 -76.6 -27.47 55.78 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.712 ' CD1' ' H ' ' A' ' 43' ' ' GLY . 0.4 OUTLIER -88.85 125.45 34.93 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 119.486 -0.885 . . . . 0.0 110.565 -177.011 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.578 ' O ' ' N ' ' A' ' 44' ' ' PHE . 23.7 m -55.66 -32.77 63.51 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.858 -179.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.712 ' H ' ' CD1' ' A' ' 41' ' ' LEU . . . -45.24 -13.11 0.04 OUTLIER Glycine 0 CA--C 1.52 0.397 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.578 ' N ' ' O ' ' A' ' 42' ' ' SER . 78.5 t80 -50.16 -42.97 51.95 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.914 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.67 -36.95 82.33 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.557 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 58.8 t0 -104.58 13.83 30.96 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.875 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.923 ' HB1' ' CG2' ' A' ' 51' ' ' VAL . . . -58.47 -41.25 84.81 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.59 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.598 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.8 mt-30 28.39 -158.95 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.637 0.732 . . . . 0.0 112.329 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -58.18 -22.16 50.36 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.832 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -51.6 -32.76 29.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.048 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.923 ' CG2' ' HB1' ' A' ' 47' ' ' ALA . 48.0 t -52.06 -38.95 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 C-N-CA 119.819 -0.752 . . . . 0.0 110.336 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -54.67 -35.71 63.85 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.016 0.436 . . . . 0.0 110.639 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.15 -27.61 62.02 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.169 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.0 p -52.1 -37.13 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -65.98 -43.35 88.1 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.107 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.52 -41.32 98.78 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.8 m -73.09 -29.59 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.338 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.9 ttt -54.9 -39.62 68.96 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.937 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.88 -42.45 93.79 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.42 -41.25 93.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.562 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.6 mt -66.99 -38.37 85.9 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.538 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 53.1 t0 -89.56 108.14 19.49 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.694 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.62 -34.64 77.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.26 0.552 . . . . 0.0 109.989 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -58.44 -39.45 79.87 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.294 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.48 6.75 84.68 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 108.241 -1.944 . . . . 0.0 108.241 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.658 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 48.8 p30 -63.31 -33.28 75.18 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 114.381 -0.91 . . . . 0.0 112.866 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.658 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.75 -3.64 62.98 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.43 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 95.9 mt-10 -114.77 155.64 26.33 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.16 153.54 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-O 121.679 0.752 . . . . 0.0 111.915 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 50.5 p30 -117.54 177.49 4.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.36 -1.291 . . . . 0.0 108.474 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -54.16 -42.65 69.82 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.949 -0.701 . . . . 0.0 110.771 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.458 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.9 tt0 -59.58 -43.11 93.73 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 120.323 -0.551 . . . . 0.0 112.001 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.488 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 92.7 mt-10 -69.57 -37.68 77.09 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.697 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.431 ' O ' HG13 ' A' ' 78' ' ' VAL . 71.3 t80 -62.24 -45.83 91.56 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.6 p -60.95 -39.77 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.021 -0.672 . . . . 0.0 111.42 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 m -76.43 -34.26 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 120.049 -0.661 . . . . 0.0 110.34 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.409 HD23 ' C ' ' A' ' 77' ' ' LEU . 9.5 tt -61.75 -41.89 98.27 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.779 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 74' ' ' TYR . 12.8 m -73.12 -33.0 41.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.364 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.29 88.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.019 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.92 96.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.954 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.647 ' CD1' HD13 ' A' ' 37' ' ' LEU . 67.9 mt -64.29 -36.65 84.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.15 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.602 HG23 ' CG ' ' B' ' 8' ' ' MET . 61.9 m -52.93 -37.68 61.11 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.483 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.3 t -59.92 -35.61 61.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.62 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.61 90.6 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.125 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.0 ttp -60.34 -39.0 85.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.033 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -58.55 -42.28 87.49 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.345 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -60.98 -41.63 96.78 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.424 178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -60.77 -41.58 95.79 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.286 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.73 -39.83 65.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.97 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -54.69 -34.71 62.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.199 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.86 -33.25 68.47 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.546 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -103.61 137.17 42.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.568 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.481 ' OG ' ' CG ' ' A' ' 40' ' ' GLU . 32.9 t -107.45 141.87 38.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.572 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.72 -36.93 80.08 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 42.1 tp -61.22 -42.11 98.04 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.095 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.63 -42.24 91.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.599 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.1 m -63.23 -42.86 99.29 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.085 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.52 -39.86 85.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.056 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.602 ' CG ' HG23 ' A' ' 82' ' ' THR . 60.8 ttp -61.14 -42.0 97.76 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.02 -31.24 66.79 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.098 0.475 . . . . 0.0 110.145 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.4 m -56.31 -35.9 68.07 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.771 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.2 mt -59.5 -42.41 92.12 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 119.031 -1.068 . . . . 0.0 111.248 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.9 -46.44 88.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.207 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -61.63 -41.59 97.7 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.541 -0.464 . . . . 0.0 112.193 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.427 ' C ' ' HD1' ' B' ' 18' ' ' HIS . 16.4 m -73.06 -38.47 55.54 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.363 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.8 -46.83 88.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.696 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.92 -47.95 78.52 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.015 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.11 -51.23 56.66 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.226 -0.59 . . . . 0.0 112.094 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.632 ' CG ' HD13 ' B' ' 36' ' ' LEU . 75.5 m80 -61.43 -46.43 90.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.124 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.4 t -61.49 -40.65 95.32 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.353 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.82 -36.26 93.08 Favored Glycine 0 CA--C 1.521 0.431 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.583 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.54 -41.69 86.09 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.491 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -129.64 144.77 51.43 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.493 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.61 -163.73 54.76 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.46 137.29 48.12 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -61.76 -38.88 89.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.042 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -66.37 -34.17 77.36 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.66 147.06 48.77 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -177.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 tp -106.57 125.67 51.3 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 114.661 -1.154 . . . . 0.0 108.655 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 54.7 p -87.13 159.13 19.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.221 -0.592 . . . . 0.0 109.706 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -57.9 -39.22 77.38 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.144 -0.623 . . . . 0.0 111.156 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -59.34 -42.08 90.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 119.428 -0.909 . . . . 0.0 109.838 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.491 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 98.0 mt-10 -65.65 -38.6 89.81 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.08 0.467 . . . . 0.0 109.782 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.88 -42.2 99.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.573 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.1 -43.17 99.29 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.505 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.63 -40.06 94.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.782 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.632 HD13 ' CG ' ' B' ' 18' ' ' HIS . 30.3 tp -62.83 -47.96 81.12 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.98 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.641 HD13 ' CD1' ' B' ' 81' ' ' LEU . 60.4 mt -68.43 -36.87 79.69 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.868 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.53 -44.65 95.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.545 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 56.0 m -80.63 -53.71 6.3 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.599 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 49.6 mp0 -76.43 -27.56 56.29 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -177.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.713 ' CD1' ' H ' ' B' ' 43' ' ' GLY . 0.4 OUTLIER -88.84 125.47 34.93 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.648 -177.01 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.584 ' O ' ' N ' ' B' ' 44' ' ' PHE . 23.9 m -55.75 -32.67 63.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.813 -179.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.713 ' H ' ' CD1' ' B' ' 41' ' ' LEU . . . -45.27 -13.12 0.04 OUTLIER Glycine 0 CA--C 1.52 0.366 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.584 ' N ' ' O ' ' B' ' 42' ' ' SER . 78.6 t80 -50.16 -42.92 51.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.95 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.2 mt -61.67 -36.9 82.18 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.57 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.481 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 58.9 t0 -104.67 13.76 30.95 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.817 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.917 ' HB1' ' CG2' ' B' ' 51' ' ' VAL . . . -58.43 -41.29 84.72 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.576 -177.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.594 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.9 mt-30 28.48 -158.95 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.645 0.736 . . . . 0.0 112.271 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -58.18 -22.17 50.5 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.847 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -51.68 -32.62 30.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.167 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.917 ' CG2' ' HB1' ' B' ' 47' ' ' ALA . 48.2 t -52.07 -38.92 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.346 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -54.76 -35.66 64.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.43 . . . . 0.0 110.634 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.07 -27.7 61.95 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.158 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.644 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.0 p -52.13 -37.06 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.246 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -66.03 -43.32 87.93 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.114 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.55 -41.3 98.81 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 19.9 m -73.09 -29.58 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.319 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 21.8 ttt -54.82 -39.62 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.043 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -59.91 -42.52 94.05 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.257 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.39 -41.2 93.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.604 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 74.7 mt -66.97 -38.33 85.88 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.539 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 53.1 t0 -89.58 108.09 19.46 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.68 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.51 -34.73 77.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.248 0.547 . . . . 0.0 110.02 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -58.39 -39.35 79.42 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.359 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.31 6.81 84.29 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 108.264 -1.934 . . . . 0.0 108.264 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.648 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 48.7 p30 -63.3 -33.23 75.06 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.365 -0.917 . . . . 0.0 112.896 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.648 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.74 -3.7 63.05 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -178.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.435 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 95.9 mt-10 -114.77 155.57 26.46 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.2 m -125.1 153.54 32.46 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-O 121.692 0.758 . . . . 0.0 111.963 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.43 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 50.6 p30 -117.57 177.48 4.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.419 -1.264 . . . . 0.0 108.471 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -54.05 -42.73 69.54 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.746 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.457 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.9 tt0 -59.62 -43.18 93.89 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 120.242 -0.583 . . . . 0.0 112.009 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.484 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 92.7 mt-10 -69.51 -37.61 77.23 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.906 -0.717 . . . . 0.0 110.71 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.424 ' O ' HG13 ' B' ' 78' ' ' VAL . 71.4 t80 -62.26 -45.91 91.18 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.457 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.6 p -60.85 -39.78 83.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.099 -0.641 . . . . 0.0 111.399 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 m -76.52 -34.22 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.345 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.427 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.5 tt -61.73 -41.93 98.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.829 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.424 HG13 ' O ' ' B' ' 74' ' ' TYR . 13.1 m -73.07 -33.03 41.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 C-N-CA 119.787 -0.765 . . . . 0.0 110.392 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.25 87.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.048 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.0 96.26 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.872 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.641 ' CD1' HD13 ' B' ' 37' ' ' LEU . 68.2 mt -64.27 -36.63 84.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.189 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.595 HG23 ' CG ' ' A' ' 8' ' ' MET . 62.0 m -52.92 -37.66 61.04 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.494 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.9 -35.67 62.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.638 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.64 90.82 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.192 -0.603 . . . . 0.0 111.062 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.1 ttp -60.31 -39.04 85.59 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.996 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -58.33 -42.3 86.5 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.483 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -61.07 -41.58 96.9 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.345 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.75 -41.63 95.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.236 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.8 -39.75 65.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.974 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.69 -34.66 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.278 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.86 -33.32 68.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.535 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -103.58 137.11 42.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.505 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.583 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.444 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 57.1 p . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.18 -38.65 77.09 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.839 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp -61.95 -41.63 98.2 Favored 'General case' 0 C--O 1.243 0.725 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.58 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.01 -40.81 96.94 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.431 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -64.57 -40.16 95.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.722 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.25 93.29 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.491 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.483 ' HB2' HG23 ' B' ' 82' ' ' THR . 13.4 ptp -62.4 -39.75 94.27 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 119.222 -0.991 . . . . 0.0 111.046 -179.141 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.586 ' OE1' HD12 ' A' ' 12' ' ' ILE . 76.5 mm-40 -57.02 -31.61 65.3 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.095 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.6 m -55.77 -38.13 69.45 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.196 -0.601 . . . . 0.0 109.886 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.01 -40.34 97.48 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.373 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.586 HD12 ' OE1' ' A' ' 9' ' ' GLU . 76.6 mt -64.17 -46.15 94.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.375 -179.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -60.78 -41.55 95.78 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.39 -0.524 . . . . 0.0 112.001 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -72.43 -39.02 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.332 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -61.32 -47.05 87.7 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.641 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.414 ' CD2' HG22 ' A' ' 12' ' ' ILE . 5.9 m-70 -61.6 -45.68 93.05 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.914 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.3 -50.38 65.92 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.986 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.437 ' CG ' HD13 ' A' ' 36' ' ' LEU . 40.8 m80 -62.54 -46.54 87.93 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.141 -0.624 . . . . 0.0 111.541 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t -61.35 -41.99 97.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.015 0.436 . . . . 0.0 111.359 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.467 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . . . -63.58 -39.57 97.75 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.46 -0.791 . . . . 0.0 113.596 -178.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -59.99 -43.4 95.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' CD ' ' A' ' 32' ' ' GLU . 94.9 mt-10 -131.91 150.79 52.05 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.722 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.04 -165.84 53.65 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 27' ' ' LYS . 88.6 m-20 -70.78 137.16 49.35 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 20' ' ' GLY . 68.3 mmtt -61.14 -39.44 90.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.096 0.474 . . . . 0.0 110.326 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -67.5 -34.8 77.87 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.566 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 34.2 mtpt -123.0 153.17 40.15 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.582 0.706 . . . . 0.0 112.896 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.3 tp -98.47 125.48 43.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.1 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.3 p -83.53 156.45 22.8 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.961 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -59.19 -36.91 76.19 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 119.128 -1.029 . . . . 0.0 109.806 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -55.65 -41.94 74.32 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 119.297 -0.961 . . . . 0.0 108.588 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 22' ' ' GLU . 48.7 mt-10 -67.74 -38.57 83.7 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.065 177.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.7 tp -64.43 -46.71 82.02 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -60.42 -44.02 96.16 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.963 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.39 -38.86 91.23 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.214 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.437 HD13 ' CG ' ' A' ' 18' ' ' HIS . 36.1 tp -64.43 -43.78 93.27 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.425 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.44 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -68.25 -42.8 79.11 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.586 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.463 ' NE2' HG11 ' A' ' 51' ' ' VAL . 94.5 mt-30 -64.84 -42.23 95.07 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.647 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.47 -42.77 74.41 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.2 mm-40 -75.09 -33.82 61.69 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.604 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -95.76 142.84 27.56 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -178.352 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.591 ' O ' ' N ' ' A' ' 44' ' ' PHE . 24.8 m -55.66 -28.92 58.11 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.027 177.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -44.75 -10.23 0.01 OUTLIER Glycine 0 CA--C 1.522 0.505 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.419 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.591 ' N ' ' O ' ' A' ' 42' ' ' SER . 65.5 t80 -49.32 -41.04 37.33 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.5 tp -58.41 -36.42 73.55 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 43' ' ' GLY . 89.1 m-20 -86.65 13.25 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.195 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.529 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -59.76 -11.75 5.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.396 -178.448 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.633 ' O ' HG22 ' A' ' 51' ' ' VAL . 93.9 mt-30 -51.44 -156.94 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.261 0.553 . . . . 0.0 111.636 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -54.16 -21.08 7.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.555 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.71 -34.19 58.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.504 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 48' ' ' GLN . 24.0 m -58.14 -14.0 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.812 -179.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -55.55 -36.06 66.38 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' ' 57' ' ' VAL . . . -56.91 -28.63 62.23 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.189 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.574 ' O ' HG22 ' A' ' 57' ' ' VAL . 71.4 t -56.68 -39.35 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.59 -41.03 93.87 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.114 -1.034 . . . . 0.0 109.701 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -63.27 -38.78 92.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.822 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 54' ' ' VAL . 2.5 m -70.51 -31.3 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.256 -177.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.11 -36.37 72.81 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.41 -40.02 85.32 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.888 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -67.02 -41.24 86.97 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.655 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.702 ' CD1' HD12 ' A' ' 77' ' ' LEU . 71.6 mt -68.21 -36.63 79.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.824 0.345 . . . . 0.0 111.37 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.495 ' OD1' ' OE1' ' A' ' 73' ' ' GLU . 97.5 m-20 -98.6 71.24 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.141 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.28 -29.02 69.6 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -53.68 -36.48 62.21 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.123 -1.399 . . . . 0.0 110.089 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.55 3.69 74.38 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 108.441 -1.864 . . . . 0.0 108.441 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.694 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.9 p30 -62.57 -35.78 80.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.316 -0.942 . . . . 0.0 113.03 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.694 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 86.83 0.75 85.63 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 108.562 -1.815 . . . . 0.0 108.562 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.566 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 95.9 mt-10 -116.64 157.97 24.51 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 114.44 -0.88 . . . . 0.0 109.098 179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.45 150.41 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.647 0.737 . . . . 0.0 111.449 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -102.88 161.85 13.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.048 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -51.51 -40.05 58.84 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.16 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.464 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.2 tt0 -57.6 -41.59 81.52 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.824 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.495 ' OE1' ' OD1' ' A' ' 62' ' ' ASP . 93.1 mt-10 -68.27 -39.82 82.04 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.536 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -63.36 -44.48 94.68 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 72' ' ' GLN . 2.7 p -59.68 -39.14 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.509 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 73' ' ' GLU . 31.6 m -75.97 -33.24 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 120.055 -0.658 . . . . 0.0 109.91 178.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.702 HD12 ' CD1' ' A' ' 61' ' ' LEU . 7.8 tt -59.73 -42.82 93.98 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.736 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.8 m -73.41 -32.65 37.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.401 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.39 92.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.485 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.11 -43.0 93.44 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.307 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 65.0 mt -64.7 -36.28 83.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.718 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.481 HG23 ' HB2' ' B' ' 8' ' ' MET . 50.5 m -53.31 -37.69 62.48 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.484 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.91 -35.88 63.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.237 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.77 80.7 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.257 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.4 tpt -59.12 -38.41 79.53 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -58.32 -44.38 88.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.017 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.76 -41.75 99.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.288 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.74 -42.08 96.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.044 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -53.58 -39.19 64.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.994 -178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -54.41 -34.74 61.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.595 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.32 -32.67 72.54 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.63 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.85 136.99 42.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.5 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.1 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.559 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.499 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 57.4 p -69.73 161.62 29.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.725 0.298 . . . . 0.0 110.588 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.26 -38.73 77.5 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.746 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.85 -41.7 98.14 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.573 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.96 -40.88 97.1 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.413 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -64.53 -40.2 95.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.683 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.25 93.64 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.571 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.481 ' HB2' HG23 ' A' ' 82' ' ' THR . 13.4 ptp -62.54 -39.64 94.24 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.96 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.579 ' OE1' HD12 ' B' ' 12' ' ' ILE . 76.6 mm-40 -57.08 -31.69 65.5 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.1 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.8 m -55.59 -38.29 69.22 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.194 -0.603 . . . . 0.0 109.926 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.7 mt -62.93 -40.31 97.23 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.44 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.579 HD12 ' OE1' ' B' ' 9' ' ' GLU . 76.6 mt -64.13 -46.16 94.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.362 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -60.7 -41.72 95.75 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.442 -0.503 . . . . 0.0 112.007 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 30.2 m -72.31 -39.11 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.338 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.22 -47.1 87.68 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.642 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.424 ' CD2' HG22 ' B' ' 12' ' ' ILE . 5.9 m-70 -61.66 -45.66 93.06 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.897 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.2 -50.44 65.9 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 119.892 -0.723 . . . . 0.0 111.968 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.446 ' CG ' HD13 ' B' ' 36' ' ' LEU . 40.8 m80 -62.64 -46.44 88.21 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.553 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t -61.43 -41.94 97.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.007 0.432 . . . . 0.0 111.322 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.62 -39.53 97.67 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 115.475 -0.784 . . . . 0.0 113.602 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -60.01 -43.39 95.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -177.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.453 ' O ' ' CD ' ' B' ' 32' ' ' GLU . 94.9 mt-10 -131.89 150.71 52.07 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.753 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.09 -165.86 53.59 Favored Glycine 0 CA--C 1.518 0.263 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' B' ' 27' ' ' LYS . 88.6 m-20 -70.8 137.16 49.3 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -61.12 -39.49 90.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.015 0.436 . . . . 0.0 110.233 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -67.38 -34.91 78.26 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.559 ' NZ ' ' OE1' ' B' ' 68' ' ' GLU . 34.2 mtpt -122.9 153.15 40.06 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.9 tp -98.41 125.57 43.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.095 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 57.0 p -83.6 156.47 22.71 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.325 -0.55 . . . . 0.0 109.874 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -59.24 -36.93 76.35 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 119.074 -1.051 . . . . 0.0 109.787 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -55.59 -42.0 74.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 119.282 -0.967 . . . . 0.0 108.534 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' B' ' 22' ' ' GLU . 48.8 mt-10 -67.67 -38.68 84.07 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.002 177.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 tp -64.31 -46.71 82.38 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -60.4 -44.13 95.98 Favored 'General case' 0 N--CA 1.436 -1.171 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.915 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.38 -38.93 91.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.177 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.446 HD13 ' CG ' ' B' ' 18' ' ' HIS . 36.1 tp -64.29 -43.89 93.38 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 120.078 -0.649 . . . . 0.0 111.433 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.5 OUTLIER -68.14 -42.83 79.53 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.577 179.799 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.458 ' NE2' HG11 ' B' ' 51' ' ' VAL . 94.5 mt-30 -64.92 -42.1 94.99 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.49 -0.884 . . . . 0.0 111.622 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.55 -42.71 74.21 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.444 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 77.2 mm-40 -75.18 -33.76 61.49 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.616 ' CD2' ' N ' ' B' ' 41' ' ' LEU . 0.5 OUTLIER -95.88 142.83 27.66 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.957 0.885 . . . . 0.0 113.265 -178.292 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.591 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.1 m -55.65 -28.88 57.86 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.024 177.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' B' ' 46' ' ' ASP . . . -44.7 -10.22 0.01 OUTLIER Glycine 0 CA--C 1.522 0.471 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.442 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.591 ' N ' ' O ' ' B' ' 42' ' ' SER . 65.7 t80 -49.39 -41.01 38.1 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.39 -36.52 73.66 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 43' ' ' GLY . 88.9 m-20 -86.56 13.18 8.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.243 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.541 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -59.7 -11.77 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.326 -178.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.635 ' O ' HG22 ' B' ' 51' ' ' VAL . 94.0 mt-30 -51.48 -156.95 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.292 0.567 . . . . 0.0 111.628 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -54.04 -21.22 7.83 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.481 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -53.67 -34.2 57.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.809 0.338 . . . . 0.0 110.534 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.635 HG22 ' O ' ' B' ' 48' ' ' GLN . 23.7 m -58.12 -14.02 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.774 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.61 -36.08 66.56 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.554 ' O ' HG13 ' B' ' 57' ' ' VAL . . . -56.89 -28.6 62.08 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.195 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.574 ' O ' HG22 ' B' ' 57' ' ' VAL . 71.2 t -56.64 -39.43 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.64 -40.94 93.83 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.078 -1.049 . . . . 0.0 109.618 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -63.26 -38.84 92.74 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.78 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.574 HG22 ' O ' ' B' ' 54' ' ' VAL . 2.5 m -70.44 -31.41 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 120.203 -0.599 . . . . 0.0 112.215 -177.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.04 -36.39 72.68 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.33 -40.08 85.19 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.969 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.91 -41.31 87.31 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.013 -0.675 . . . . 0.0 111.685 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.719 ' CD1' HD12 ' B' ' 77' ' ' LEU . 71.5 mt -68.2 -36.58 79.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.85 0.357 . . . . 0.0 111.399 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.488 ' OD1' ' OE1' ' B' ' 73' ' ' GLU . 97.4 m-20 -98.61 71.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.114 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.25 -29.12 69.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -53.54 -36.57 61.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.106 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.54 3.75 74.33 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.694 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.9 p30 -62.44 -35.82 80.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.417 -0.891 . . . . 0.0 113.057 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.694 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 86.73 0.81 85.77 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 108.58 -1.808 . . . . 0.0 108.58 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.559 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 95.9 mt-10 -116.72 157.98 24.58 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 114.408 -0.896 . . . . 0.0 109.163 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.39 150.4 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.627 0.727 . . . . 0.0 111.474 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -102.95 161.75 13.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.519 -1.219 . . . . 0.0 108.99 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -51.49 -40.06 58.79 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.148 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.461 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.2 tt0 -57.58 -41.54 81.35 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.904 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.488 ' OE1' ' OD1' ' B' ' 62' ' ' ASP . 93.1 mt-10 -68.33 -39.83 81.83 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.475 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -63.26 -44.51 94.93 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.461 HG12 ' O ' ' B' ' 72' ' ' GLN . 2.7 p -59.6 -39.26 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.551 -178.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.473 HG22 ' O ' ' B' ' 73' ' ' GLU . 31.5 m -75.81 -33.36 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 120.159 -0.616 . . . . 0.0 109.896 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.719 HD12 ' CD1' ' B' ' 61' ' ' LEU . 7.8 tt -59.82 -42.81 94.33 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.626 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 23.0 m -73.4 -32.58 37.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.371 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.35 92.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.426 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.17 -43.04 93.01 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.266 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.405 ' CD1' ' CD1' ' B' ' 37' ' ' LEU . 65.8 mt -64.7 -36.25 83.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.751 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 8' ' ' MET . 48.5 m -53.2 -37.8 62.31 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.602 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 71.6 t -59.82 -35.9 63.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.275 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.8 80.92 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.164 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.4 tpt -59.14 -38.27 79.28 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -58.41 -44.32 88.97 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.038 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.79 -41.72 99.38 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.322 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.71 -42.13 96.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.048 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -53.54 -39.12 64.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.05 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -54.49 -34.73 62.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.579 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.3 -32.71 72.57 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.655 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.85 137.02 42.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.599 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.238 0.47 0 CA-C-O 120.993 0.425 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -59.51 -37.28 77.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.171 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.494 HD21 HG11 ' B' ' 14' ' ' VAL . 45.8 mt -63.94 -39.2 93.6 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.276 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.82 -39.19 90.62 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.619 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -63.1 -43.07 99.51 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.274 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.33 -37.34 83.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.223 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.714 ' CG ' HG23 ' B' ' 82' ' ' THR . 45.0 ttm -58.42 -42.82 88.1 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.765 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.29 -31.78 65.96 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.11 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.459 HG22 HD23 ' B' ' 4' ' ' LEU . 30.8 m -56.94 -36.91 70.8 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 14' ' ' VAL . 37.5 mt -63.3 -41.03 98.93 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 118.738 -1.185 . . . . 0.0 110.49 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.534 HD12 ' HE1' ' B' ' 85' ' ' MET . 75.9 mt -64.69 -38.34 82.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.769 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -58.38 -43.39 88.45 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 119.819 -0.753 . . . . 0.0 111.06 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 11' ' ' LEU . 20.7 m -74.66 -39.03 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.169 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.435 ' O ' ' OG ' ' A' ' 19' ' ' SER . 68.2 t80 -62.19 -47.49 84.27 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.792 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -63.19 -48.7 77.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.953 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.34 -51.14 60.29 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.829 -179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.473 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 77.2 m80 -63.08 -46.89 85.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.32 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.523 ' N ' ' OE2' ' A' ' 32' ' ' GLU . 29.3 m -60.97 -40.18 92.42 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.477 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.87 -47.11 68.31 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.776 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.09 -44.63 96.24 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -132.78 144.56 50.33 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.873 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.524 ' O ' ' O ' ' A' ' 27' ' ' LYS . . . 73.95 19.53 79.76 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 121.232 -0.509 . . . . 0.0 112.237 177.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.483 ' O ' ' O ' ' A' ' 27' ' ' LYS . 89.4 m-20 59.91 138.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 117.253 0.526 . . . . 0.0 109.949 -179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -58.46 -38.46 77.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.912 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -62.62 -35.03 78.25 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -177.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.524 ' O ' ' O ' ' A' ' 23' ' ' GLY . 97.7 mttt -125.39 147.43 49.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.145 0.498 . . . . 0.0 111.729 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tt -107.31 131.71 53.92 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -103.92 151.8 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.596 ' HZ2' ' CG ' ' A' ' 55' ' ' ASP . 66.0 tttt -56.64 -37.31 70.59 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.339 -0.944 . . . . 0.0 110.565 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -55.92 -40.95 73.84 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 118.324 -1.35 . . . . 0.0 107.945 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.523 ' OE2' ' N ' ' A' ' 19' ' ' SER . 81.0 tt0 -66.14 -40.93 90.99 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.732 177.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 33.9 tp -67.19 -47.96 69.35 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -60.63 -45.89 92.35 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.763 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.78 -37.94 87.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.157 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.473 HD12 ' CG ' ' A' ' 18' ' ' HIS . 9.1 tt -64.24 -43.97 93.24 Favored 'General case' 0 CA--C 1.522 -0.113 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.661 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.429 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -67.84 -39.61 83.83 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.158 178.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.68 -44.98 95.92 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.096 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.2 m -70.8 -42.02 70.84 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.442 ' CG ' HD12 ' B' ' 4' ' ' LEU . 78.5 mm-40 -74.09 -33.46 63.64 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -177.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 81' ' ' LEU . 69.5 mt -97.17 148.13 23.38 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -178.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.582 ' O ' ' N ' ' A' ' 44' ' ' PHE . 24.6 m -55.13 -29.73 58.31 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 113.985 -1.461 . . . . 0.0 108.602 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -45.36 -10.46 0.02 OUTLIER Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.321 -1.111 . . . . 0.0 110.321 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 42' ' ' SER . 55.5 t80 -50.08 -43.92 51.6 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.4 tp -62.09 -36.56 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.431 0.634 . . . . 0.0 109.571 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.66 ' C ' ' H ' ' A' ' 48' ' ' GLN . 89.1 m-20 -87.89 11.43 15.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.56 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.416 ' HA ' HG11 ' A' ' 51' ' ' VAL . . . -56.61 19.87 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.66 ' H ' ' C ' ' A' ' 46' ' ' ASP . 93.2 mt-30 -62.84 158.31 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 56.1 pttt -40.74 -16.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.667 -178.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 48' ' ' GLN . 92.3 m-20 -54.86 -34.56 63.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.183 0.516 . . . . 0.0 110.367 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 54' ' ' VAL . 20.9 m -57.05 -11.79 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.356 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 92.2 m-20 -55.7 -34.62 65.25 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.49 -27.35 62.46 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.583 0.706 . . . . 0.0 109.974 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.0 p -52.36 -35.96 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.596 ' CG ' ' HZ2' ' A' ' 30' ' ' LYS . 55.9 t0 -60.11 -42.37 94.58 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.41 178.402 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -63.92 -38.69 92.02 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.601 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 54' ' ' VAL . 2.1 m -69.48 -31.12 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 119.927 -0.709 . . . . 0.0 112.508 -177.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.8 mmm -55.79 -37.5 68.68 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.613 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -59.66 -42.4 92.74 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.15 -40.86 86.77 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.446 ' N ' HD12 ' A' ' 61' ' ' LEU . 6.7 mp -68.56 -39.95 80.82 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 120.102 -0.639 . . . . 0.0 112.119 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 60.7 t0 -89.85 112.43 23.77 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.677 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.11 -33.43 76.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -57.17 -38.15 73.16 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.564 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.46 20.76 79.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.582 ' C ' ' H ' ' A' ' 68' ' ' GLU . 44.6 p30 -88.69 3.63 50.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.273 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.04 -7.02 0.21 Allowed Glycine 0 CA--C 1.529 0.913 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.582 ' H ' ' C ' ' A' ' 66' ' ' ASP . 84.4 tt0 -108.21 145.25 34.51 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.8 m -124.16 150.1 28.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 CA-C-O 121.973 0.892 . . . . 0.0 112.267 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -104.01 164.79 11.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 113.895 -1.502 . . . . 0.0 109.027 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -51.42 -41.29 60.67 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.94 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.494 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.5 tt0 -58.94 -42.12 89.01 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 119.871 -0.732 . . . . 0.0 111.012 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.444 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.9 mt-10 -68.58 -38.3 80.58 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.206 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -62.52 -44.67 95.78 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.7 p -59.77 -39.31 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.667 -178.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.2 m -76.13 -32.02 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.522 178.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 77' ' ' LEU . 10.1 tt -59.77 -42.47 93.39 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.752 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 75' ' ' VAL . 21.3 m -73.24 -33.04 40.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.798 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.86 86.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.149 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.88 95.86 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.071 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.426 HD13 HD11 ' A' ' 41' ' ' LEU . 64.0 mt -64.72 -36.44 84.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.225 179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.69 HG23 ' CG ' ' B' ' 8' ' ' MET . 73.7 m -52.89 -37.72 60.86 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.539 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.572 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 78.0 t -59.25 -36.43 63.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.459 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.79 -31.61 72.62 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.53 ' HE1' HD12 ' B' ' 12' ' ' ILE . 4.6 ttp -57.42 -38.44 74.34 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.58 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.726 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 32.0 p-10 -60.18 -42.42 94.98 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 119.279 -0.969 . . . . 0.0 109.712 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.726 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 93.6 m-20 -63.58 -38.47 91.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.765 178.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -60.12 -40.86 91.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.183 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.22 -38.92 63.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.973 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.27 -34.83 61.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.584 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.17 -32.38 72.11 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.641 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -99.58 120.23 39.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.447 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.569 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.5 m -63.28 157.56 22.51 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.904 0.383 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -59.41 -37.48 78.14 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.146 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.477 HD21 HG11 ' A' ' 14' ' ' VAL . 45.4 mt -63.81 -39.25 93.79 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.286 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.76 -39.37 90.97 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.522 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.8 m -62.97 -43.12 99.66 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.299 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.61 81.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.196 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.69 ' CG ' HG23 ' A' ' 82' ' ' THR . 45.1 ttm -59.03 -42.83 91.14 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.677 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.18 -31.88 65.88 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.14 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.45 HG22 HD23 ' A' ' 4' ' ' LEU . 30.5 m -56.88 -36.89 70.62 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.959 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.474 ' O ' HG22 ' B' ' 14' ' ' VAL . 37.5 mt -63.44 -40.84 98.23 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 118.702 -1.199 . . . . 0.0 110.475 -178.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.53 HD12 ' HE1' ' A' ' 85' ' ' MET . 75.9 mt -64.76 -38.29 82.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.76 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -58.45 -43.41 88.82 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.84 -0.744 . . . . 0.0 111.003 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.494 HG11 HD21 ' A' ' 4' ' ' LEU . 20.9 m -74.6 -39.01 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.153 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.447 ' O ' ' OG ' ' B' ' 19' ' ' SER . 68.4 t80 -62.25 -47.4 84.55 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.843 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -63.24 -48.69 77.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.992 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.29 -51.15 60.29 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 120.069 -0.652 . . . . 0.0 111.873 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.474 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 77.2 m80 -63.0 -46.9 85.47 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.424 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.52 ' N ' ' OE2' ' B' ' 32' ' ' GLU . 28.5 m -60.94 -40.22 92.44 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.561 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.93 -47.08 67.96 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.728 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.02 -44.72 96.12 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -132.8 144.52 50.29 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.817 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.527 ' O ' ' O ' ' B' ' 27' ' ' LYS . . . 73.99 19.47 79.77 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.209 177.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.48 ' O ' ' O ' ' B' ' 27' ' ' LYS . 89.6 m-20 59.96 138.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.965 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -58.45 -38.41 77.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.902 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -62.71 -34.97 78.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -177.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.527 ' O ' ' O ' ' B' ' 23' ' ' GLY . 97.7 mttt -125.47 147.45 49.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.091 0.472 . . . . 0.0 111.825 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -107.31 131.65 53.99 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -103.84 151.79 22.68 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.552 ' HZ2' ' CG ' ' B' ' 55' ' ' ASP . 66.0 tttt -56.75 -37.23 70.75 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.554 -178.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -55.83 -41.03 73.66 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 118.328 -1.349 . . . . 0.0 107.996 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.52 ' OE2' ' N ' ' B' ' 19' ' ' SER . 81.1 tt0 -66.14 -40.89 90.94 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.787 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 33.8 tp -67.17 -47.98 69.34 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -60.62 -45.87 92.39 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.741 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.84 -37.9 87.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.155 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.473 HD12 ' CG ' ' B' ' 18' ' ' HIS . 9.2 tt -64.33 -43.85 93.37 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 120.079 -0.649 . . . . 0.0 110.62 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.433 ' N ' ' CD2' ' B' ' 37' ' ' LEU . 0.5 OUTLIER -67.95 -39.64 83.4 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.081 178.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.65 -44.98 95.96 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.07 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -70.8 -42.11 70.73 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.441 ' CG ' HD12 ' A' ' 4' ' ' LEU . 78.6 mm-40 -73.98 -33.59 63.9 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -177.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.429 HD11 HD13 ' B' ' 81' ' ' LEU . 69.4 mt -97.17 148.07 23.44 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.585 ' O ' ' N ' ' B' ' 44' ' ' PHE . 24.7 m -55.09 -29.76 58.26 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 113.902 -1.499 . . . . 0.0 108.641 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -45.22 -10.48 0.02 OUTLIER Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.585 ' N ' ' O ' ' B' ' 42' ' ' SER . 55.7 t80 -50.12 -43.9 52.05 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.5 tp -62.05 -36.62 82.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.405 0.622 . . . . 0.0 109.618 177.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.65 ' C ' ' H ' ' B' ' 48' ' ' GLN . 88.8 m-20 -87.74 11.34 15.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.556 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.412 ' HA ' HG11 ' B' ' 51' ' ' VAL . . . -56.6 19.75 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.65 ' H ' ' C ' ' B' ' 46' ' ' ASP . 93.2 mt-30 -62.7 158.22 19.04 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 56.2 pttt -40.82 -15.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.67 -178.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' B' ' 48' ' ' GLN . 92.2 m-20 -54.9 -34.65 63.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.142 0.496 . . . . 0.0 110.297 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.667 ' O ' HG12 ' B' ' 54' ' ' VAL . 20.7 m -56.87 -11.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.402 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' B' ' 49' ' ' LYS . 92.3 m-20 -55.62 -34.67 65.11 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.404 ' O ' HG13 ' B' ' 57' ' ' VAL . . . -57.4 -27.49 62.4 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 121.586 0.707 . . . . 0.0 109.912 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.667 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.0 p -52.24 -36.05 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.552 ' CG ' ' HZ2' ' B' ' 30' ' ' LYS . 55.9 t0 -60.03 -42.49 94.49 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.35 178.438 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -63.85 -38.73 92.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.553 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.558 HG22 ' O ' ' B' ' 54' ' ' VAL . 2.1 m -69.45 -31.15 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 120.006 -0.678 . . . . 0.0 112.48 -177.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.8 mmm -55.88 -37.4 68.76 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.652 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -59.71 -42.36 92.86 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.11 -40.82 86.92 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.439 ' N ' HD12 ' B' ' 61' ' ' LEU . 6.7 mp -68.73 -39.85 80.18 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.07 -0.652 . . . . 0.0 112.063 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.54 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 60.8 t0 -89.99 112.4 23.79 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.641 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.04 -33.46 76.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -57.14 -38.19 73.14 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.531 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.54 20.67 79.49 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.603 ' C ' ' H ' ' B' ' 68' ' ' GLU . 44.8 p30 -88.79 3.68 50.19 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.107 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.03 -6.97 0.21 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.603 ' H ' ' C ' ' B' ' 66' ' ' ASP . 84.4 tt0 -108.24 145.31 34.49 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 25.5 m -124.12 150.07 28.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 CA-C-O 121.968 0.89 . . . . 0.0 112.27 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -104.03 164.84 11.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 113.847 -1.524 . . . . 0.0 109.014 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -51.45 -41.28 60.74 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.863 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.481 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.5 tt0 -58.9 -42.22 89.06 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.016 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.438 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.9 mt-10 -68.58 -38.26 80.55 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 119.816 -0.753 . . . . 0.0 110.206 178.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -62.51 -44.65 95.84 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.481 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.6 p -59.84 -39.27 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.65 -178.203 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.438 HG22 ' O ' ' B' ' 73' ' ' GLU . 33.1 m -76.02 -32.09 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.513 178.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.427 HD23 ' C ' ' B' ' 77' ' ' LEU . 10.1 tt -59.86 -42.36 93.5 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.739 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.415 HG22 ' O ' ' B' ' 75' ' ' VAL . 21.7 m -73.3 -33.01 39.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.709 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.79 86.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.091 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.47 -42.83 95.69 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.032 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.429 HD13 HD11 ' B' ' 41' ' ' LEU . 63.9 mt -64.79 -36.42 84.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.175 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.714 HG23 ' CG ' ' A' ' 8' ' ' MET . 75.1 m -52.82 -37.82 60.5 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.533 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.568 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 76.7 t -59.1 -36.55 63.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.458 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.78 -31.54 72.53 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.534 ' HE1' HD12 ' A' ' 12' ' ' ILE . 4.7 ttp -57.59 -38.4 74.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.476 -178.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.721 ' OD1' ' N ' ' B' ' 87' ' ' ASN . 32.1 p-10 -60.21 -42.36 94.98 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 119.184 -1.007 . . . . 0.0 109.716 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.721 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 93.6 m-20 -63.61 -38.43 91.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.714 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.17 -40.79 91.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.146 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.26 -38.94 63.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.305 -0.862 . . . . 0.0 109.999 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.25 -34.88 61.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.531 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.14 -32.45 72.16 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.552 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -99.51 120.28 39.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.42 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.56 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' B' ' 40' ' ' GLU . 53.2 p . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.658 0.266 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -61.91 -37.72 85.68 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.771 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 tp -61.41 -43.13 99.41 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.035 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.39 -42.31 88.07 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.048 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.6 m -61.61 -42.8 99.39 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.826 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -67.09 -41.53 86.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.927 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.528 ' CG ' HG23 ' B' ' 82' ' ' THR . 63.0 ttp -63.19 -44.6 94.92 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.34 -31.52 67.66 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.098 0.475 . . . . 0.0 110.15 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.443 HG21 ' HB2' ' B' ' 7' ' ' ALA . 37.4 m -56.3 -36.23 68.42 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.821 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.11 -42.63 98.88 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.721 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.9 mt -66.13 -44.34 91.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.001 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -61.28 -41.52 97.08 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.413 -0.515 . . . . 0.0 112.035 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -73.95 -38.76 50.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.567 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.56 ' CE1' HD22 ' A' ' 28' ' ' LEU . 65.3 t80 -63.25 -49.47 74.01 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.422 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.47 -46.87 84.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.196 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.66 87.44 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 120.059 -0.657 . . . . 0.0 111.515 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.609 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 85.7 t60 -64.22 -47.45 79.63 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.581 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.5 p -63.39 -35.68 81.19 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.033 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.55 -40.22 94.15 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.336 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -59.92 -41.99 92.95 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.541 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -127.67 151.5 48.88 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.928 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.08 -162.73 42.58 Favored Glycine 0 C--N 1.332 0.355 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -71.47 136.93 47.83 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -61.3 -39.56 90.92 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.432 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -68.01 -33.81 75.32 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -115.68 146.68 41.63 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 15' ' ' PHE . 17.5 tp -107.18 131.78 53.78 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.02 178.099 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -104.62 151.84 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.77 -37.93 71.78 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.709 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -55.19 -40.7 71.02 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 118.86 -1.136 . . . . 0.0 108.006 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.609 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 96.5 mt-10 -67.67 -38.76 84.19 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.521 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.77 -46.28 85.98 Favored 'General case' 0 C--N 1.345 0.373 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -59.73 -43.99 93.96 Favored 'General case' 0 N--CA 1.433 -1.288 0 C-N-CA 119.423 -0.911 . . . . 0.0 110.635 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -64.06 -41.13 97.48 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.446 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.54 HD13 ' CG ' ' A' ' 18' ' ' HIS . 34.5 tp -65.34 -45.14 85.38 Favored 'General case' 0 CA--C 1.527 0.065 0 C-N-CA 119.906 -0.718 . . . . 0.0 112.253 -179.077 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -69.49 -42.73 74.39 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.823 -0.751 . . . . 0.0 112.143 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -64.37 -43.39 94.66 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 119.442 -0.903 . . . . 0.0 111.6 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -71.07 -42.48 69.33 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.51 -32.9 62.66 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -177.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.599 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 22.2 tp -100.14 123.69 44.68 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 119.654 -0.818 . . . . 0.0 112.011 -177.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.494 ' C ' ' N ' ' A' ' 44' ' ' PHE . 86.2 p -62.09 -27.51 68.96 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.782 0.801 . . . . 0.0 109.122 178.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.599 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -49.1 -14.29 0.45 Allowed Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 178.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.494 ' N ' ' C ' ' A' ' 42' ' ' SER . 86.8 t80 -51.47 -41.76 61.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.706 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.05 -42.08 84.66 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.055 -1.058 . . . . 0.0 108.89 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -67.35 -33.04 74.4 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.026 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.595 ' O ' ' C ' ' A' ' 48' ' ' GLN . . . -58.92 -33.27 70.38 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -175.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.621 ' O ' HG12 ' A' ' 51' ' ' VAL . 94.1 mt-30 15.82 -126.84 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 118.416 0.553 . . . . 0.0 111.604 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -59.02 -31.62 68.99 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.078 0.466 . . . . 0.0 110.371 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 47' ' ' ALA . 92.4 m-20 -55.42 -31.13 61.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.006 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.645 ' O ' HG12 ' A' ' 54' ' ' VAL . 6.0 p -52.31 -31.88 15.43 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.039 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.523 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.74 -36.29 67.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.996 0.427 . . . . 0.0 110.595 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -27.32 61.02 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.919 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.0 p -51.71 -37.45 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -64.8 -41.37 95.86 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.826 -0.749 . . . . 0.0 110.172 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.73 -39.95 95.68 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 54' ' ' VAL . 12.5 m -71.31 -30.82 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 120.031 -0.668 . . . . 0.0 112.334 -177.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.0 mmm -57.06 -37.98 72.6 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.856 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -60.78 -44.83 96.29 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.104 -0.639 . . . . 0.0 111.688 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.81 -41.03 79.23 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.322 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -67.55 -38.03 83.57 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 120.684 -0.406 . . . . 0.0 112.08 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.542 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 45.6 t0 -88.71 108.35 19.43 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.52 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.15 -34.68 78.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.456 0.646 . . . . 0.0 109.267 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -58.67 -39.14 79.81 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.037 -178.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.43 8.06 85.56 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 107.896 -2.081 . . . . 0.0 107.896 -177.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.663 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 44.5 p30 -63.27 -33.82 76.33 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 114.07 -1.065 . . . . 0.0 112.995 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.663 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.82 -6.02 66.93 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.51 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 59.2 mp0 -112.21 156.24 22.66 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.9 m -124.05 151.54 29.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 122.237 1.017 . . . . 0.0 113.275 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 55.9 t0 -104.3 163.27 12.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 113.369 -1.741 . . . . 0.0 108.646 178.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.494 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 74.1 t80 -51.2 -42.26 60.78 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.225 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -59.52 -41.93 91.1 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.167 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.415 ' O ' HG22 ' A' ' 76' ' ' VAL . 91.4 mt-10 -65.8 -38.41 88.89 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.876 -0.729 . . . . 0.0 110.065 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -61.78 -41.58 97.9 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.943 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.773 HG13 ' HB1' ' B' ' 79' ' ' ALA . 1.4 t -60.02 -45.02 95.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.03 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 73' ' ' GLU . 26.7 m -71.24 -34.85 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.986 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.78 ' C ' HD13 ' A' ' 77' ' ' LEU . 2.8 tm? -58.98 -44.79 91.62 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.047 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 m -72.83 -37.37 54.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.469 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.774 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -63.46 -43.31 97.7 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.821 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.39 99.78 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.641 0.734 . . . . 0.0 110.176 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.0 -39.37 94.57 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.52 -178.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.532 HG23 ' CG ' ' B' ' 8' ' ' MET . 43.5 m -54.75 -37.14 65.6 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.492 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 70.9 t -59.13 -34.1 52.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.968 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.1 -36.77 75.71 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.29 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.1 mmm -57.99 -38.01 75.31 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.634 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -59.69 -43.8 93.9 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.303 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -64.69 -45.98 84.33 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.116 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -67.41 -36.66 81.73 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.204 0.526 . . . . 0.0 111.502 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -53.99 -39.26 65.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.052 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.34 -34.67 61.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.07 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -57.56 -33.24 67.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.396 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -103.54 136.88 42.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.9 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.548 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -69.56 161.32 29.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.672 0.272 . . . . 0.0 110.381 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -61.92 -37.57 85.15 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.835 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 16.5 tp -61.49 -43.08 99.5 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.053 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.4 -42.35 87.99 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.073 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 41.3 m -61.52 -42.81 99.37 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.921 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.443 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -67.15 -41.39 86.11 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.968 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.532 ' CG ' HG23 ' A' ' 82' ' ' THR . 62.9 ttp -63.08 -44.81 94.72 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.3 -31.52 67.58 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.054 0.454 . . . . 0.0 110.105 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.446 HG21 ' HB2' ' A' ' 7' ' ' ALA . 36.7 m -56.23 -36.29 68.33 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.815 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.1 -42.64 98.9 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 118.532 -1.267 . . . . 0.0 110.764 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.08 -44.44 91.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.955 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -61.22 -41.56 97.07 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.436 -0.506 . . . . 0.0 112.032 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -73.87 -38.84 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 119.775 -0.77 . . . . 0.0 110.6 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.56 ' CE1' HD22 ' B' ' 28' ' ' LEU . 65.2 t80 -63.29 -49.38 74.24 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.359 178.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.59 -46.87 83.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.165 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.73 87.53 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.602 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.616 ' NE2' ' O ' ' B' ' 32' ' ' GLU . 85.7 t60 -64.17 -47.45 79.8 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.633 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 82.6 p -63.39 -35.7 81.27 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.952 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.16 94.06 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 121.1 -0.572 . . . . 0.0 112.331 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -59.95 -41.97 93.02 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.545 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -127.68 151.52 48.85 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.921 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.11 -162.73 42.69 Favored Glycine 0 C--N 1.331 0.305 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 178.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.46 136.96 47.86 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -61.24 -39.64 91.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.208 0.528 . . . . 0.0 110.425 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -68.0 -33.86 75.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -115.72 146.69 41.66 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' B' ' 15' ' ' PHE . 17.6 tp -107.16 131.75 53.8 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.005 178.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -104.6 151.94 23.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.91 -37.91 72.09 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 118.996 -1.081 . . . . 0.0 110.697 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -55.11 -40.73 70.79 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 118.805 -1.158 . . . . 0.0 108.014 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.616 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 96.4 mt-10 -67.66 -38.76 84.23 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.506 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.82 -46.25 85.93 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -59.73 -44.02 93.96 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.556 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -64.12 -41.06 97.37 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.454 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.542 HD13 ' CG ' ' B' ' 18' ' ' HIS . 35.0 tp -65.44 -45.05 85.34 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 119.852 -0.739 . . . . 0.0 112.237 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -69.63 -42.58 74.12 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.789 -0.765 . . . . 0.0 112.138 -179.783 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -64.47 -43.28 94.7 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.669 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.6 m -71.2 -42.37 69.08 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.439 ' O ' ' OG ' ' A' ' 2' ' ' SER . 77.3 mm-40 -74.58 -32.8 62.5 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.612 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 22.2 tp -100.21 123.68 44.74 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 119.648 -0.821 . . . . 0.0 112.081 -177.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.504 ' C ' ' N ' ' B' ' 44' ' ' PHE . 86.2 p -62.11 -27.46 68.94 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.758 0.79 . . . . 0.0 109.084 178.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.612 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -49.05 -14.32 0.44 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 178.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.504 ' N ' ' C ' ' B' ' 42' ' ' SER . 86.5 t80 -51.46 -41.71 61.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.17 -42.03 85.12 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.875 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -67.32 -33.1 74.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.958 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.599 ' O ' ' C ' ' B' ' 48' ' ' GLN . . . -58.86 -33.31 70.33 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.627 ' O ' HG12 ' B' ' 51' ' ' VAL . 94.1 mt-30 15.8 -126.74 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.398 0.544 . . . . 0.0 111.601 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -59.11 -31.56 69.04 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.054 0.454 . . . . 0.0 110.382 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' B' ' 47' ' ' ALA . 92.3 m-20 -55.44 -31.04 61.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.986 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.642 ' O ' HG12 ' B' ' 54' ' ' VAL . 6.1 p -52.41 -31.9 15.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.447 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.75 -36.29 67.14 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.921 0.391 . . . . 0.0 110.469 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.96 -27.22 60.99 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.943 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.642 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.0 p -51.86 -37.41 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -64.73 -41.32 96.03 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.323 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -62.73 -39.99 95.8 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.407 HG22 ' O ' ' B' ' 54' ' ' VAL . 12.2 m -71.24 -30.81 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 120.105 -0.638 . . . . 0.0 112.356 -177.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.9 mmm -57.13 -37.97 72.78 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.869 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -60.75 -44.86 96.18 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.665 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.72 -41.18 79.42 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.366 -0.533 . . . . 0.0 112.293 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -67.43 -38.04 83.93 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.669 -0.413 . . . . 0.0 112.112 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.544 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 45.8 t0 -88.68 108.28 19.38 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.561 -179.123 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.19 -34.62 77.91 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -58.65 -39.16 79.8 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.105 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.48 8.08 85.67 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 107.873 -2.091 . . . . 0.0 107.873 -177.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.67 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 44.6 p30 -63.33 -33.82 76.35 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 114.042 -1.079 . . . . 0.0 112.961 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.67 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.85 -5.96 66.8 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.484 -1.447 . . . . 0.0 109.484 -178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.525 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 59.2 mp0 -112.27 156.23 22.74 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.3 m -124.06 151.57 29.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 122.271 1.034 . . . . 0.0 113.264 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 55.9 t0 -104.3 163.28 12.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 113.357 -1.747 . . . . 0.0 108.615 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.52 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 73.8 t80 -51.14 -42.36 60.69 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.184 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -59.54 -41.87 91.03 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.214 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.407 ' O ' HG22 ' B' ' 76' ' ' VAL . 91.4 mt-10 -65.66 -38.64 89.89 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.12 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -61.64 -41.56 97.67 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.021 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.774 HG13 ' HB1' ' A' ' 79' ' ' ALA . 1.4 t -60.0 -45.0 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.042 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.407 HG22 ' O ' ' B' ' 73' ' ' GLU . 26.8 m -71.24 -34.9 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 119.528 -0.869 . . . . 0.0 110.029 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.788 ' C ' HD13 ' B' ' 77' ' ' LEU . 2.8 tm? -58.89 -44.88 91.25 Favored 'General case' 0 C--N 1.339 0.121 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.091 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.0 m -72.83 -37.36 54.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 119.766 -0.773 . . . . 0.0 111.412 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.773 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -63.41 -43.36 97.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.39 99.81 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.698 0.761 . . . . 0.0 110.164 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.94 -39.36 94.38 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.609 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.528 HG23 ' CG ' ' A' ' 8' ' ' MET . 43.6 m -54.67 -37.19 65.43 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.537 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.0 -34.25 52.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.006 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.07 -36.71 75.53 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.288 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 89.1 mmm -57.98 -38.05 75.35 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.649 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -59.6 -43.9 93.58 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.333 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -64.65 -46.0 84.39 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.132 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -67.24 -36.75 82.3 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.216 0.532 . . . . 0.0 111.537 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -54.08 -39.26 66.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.967 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.3 -34.62 61.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.088 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -57.58 -33.27 68.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.368 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.59 137.0 42.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.554 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 m . . . . . 0 C--O 1.235 0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.56 -37.52 84.1 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.732 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.0 tp -60.96 -42.52 98.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.843 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.59 ' OE2' ' N ' ' B' ' 42' ' ' SER . 97.4 mt-10 -67.4 -39.57 85.57 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.829 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -61.41 -43.39 98.95 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.919 -0.712 . . . . 0.0 110.677 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.65 -42.0 78.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.449 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.524 ' CG ' HG23 ' B' ' 82' ' ' THR . 63.7 ttp -62.95 -44.06 97.09 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -178.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.53 ' OE1' HD12 ' A' ' 12' ' ' ILE . 76.6 mm-40 -58.84 -31.18 68.27 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 120.926 0.393 . . . . 0.0 110.102 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.8 m -56.14 -36.35 68.17 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.252 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.4 mt -60.95 -40.64 94.09 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.606 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.53 HD12 ' OE1' ' A' ' 9' ' ' GLU . 80.6 mt -63.58 -47.6 90.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.503 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -60.89 -40.97 95.07 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.566 -0.453 . . . . 0.0 112.176 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -73.22 -38.75 55.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.013 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -61.93 -51.8 66.65 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 119.591 -0.843 . . . . 0.0 110.697 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -65.18 -45.47 84.72 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 113.024 0.749 . . . . 0.0 113.024 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.13 -52.42 55.38 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.656 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.576 ' CG ' HD13 ' A' ' 36' ' ' LEU . 64.2 m80 -63.35 -45.03 93.08 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.119 -0.633 . . . . 0.0 111.841 179.348 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 22' ' ' GLU . 86.4 p -63.58 -35.04 79.18 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.709 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.27 -40.61 94.79 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.68 -38.45 81.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.38 -0.41 . . . . 0.0 111.737 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.499 ' O ' ' O ' ' A' ' 19' ' ' SER . 77.6 mm-40 -116.19 152.69 33.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.072 0.463 . . . . 0.0 111.627 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 22' ' ' GLU . . . 39.79 -161.83 0.01 OUTLIER Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 27' ' ' LYS . 88.4 m-20 -70.76 136.08 48.64 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.418 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -60.53 -39.32 87.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.076 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -64.18 -33.5 75.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.926 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 24' ' ' ASP . 85.6 mttt -116.47 143.08 46.04 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.59 0.709 . . . . 0.0 112.119 -179.175 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.556 HD12 ' OE1' ' A' ' 32' ' ' GLU . 14.4 tp -106.62 131.05 54.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.724 178.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 t -101.86 147.27 26.71 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -55.99 -36.35 67.78 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 118.685 -1.206 . . . . 0.0 110.023 -178.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -55.53 -40.79 72.27 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 118.722 -1.191 . . . . 0.0 108.097 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.556 ' OE1' HD12 ' A' ' 28' ' ' LEU . 96.8 mt-10 -65.92 -36.67 84.02 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.64 -45.75 88.8 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.484 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.53 -43.79 93.36 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 118.817 -1.153 . . . . 0.0 110.401 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.88 -41.31 87.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.087 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD13 ' CG ' ' A' ' 18' ' ' HIS . 38.7 tp -65.8 -47.26 75.71 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.065 -0.654 . . . . 0.0 112.066 -178.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -70.28 -40.76 74.14 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.146 -0.621 . . . . 0.0 111.647 179.569 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -63.46 -46.71 84.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.272 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -71.66 -43.88 65.26 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.75 -33.02 62.26 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.555 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.2 tp -99.52 140.24 33.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.276 0.56 . . . . 0.0 111.954 -177.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.604 ' O ' ' N ' ' A' ' 44' ' ' PHE . 24.0 t -51.57 -26.62 9.01 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.555 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -45.49 -8.93 0.02 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.604 ' N ' ' O ' ' A' ' 42' ' ' SER . 48.1 t80 -48.71 -42.5 35.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.42 -36.67 78.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.44 0.638 . . . . 0.0 109.366 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' GLY . 58.8 t0 -80.23 10.91 3.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.922 -1.036 . . . . 0.0 110.739 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.537 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -61.69 -10.38 8.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.466 -178.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.604 ' O ' HG22 ' A' ' 51' ' ' VAL . 94.0 mt-30 -49.34 -162.85 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.382 0.61 . . . . 0.0 111.951 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -54.73 -20.64 8.78 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.352 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -53.58 -33.42 54.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.27 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 54' ' ' VAL . 22.5 m -57.61 -17.05 6.6 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.78 -178.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -56.2 -35.86 67.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.137 0.494 . . . . 0.0 109.76 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.16 -26.95 61.42 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.881 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.7 p -52.13 -36.85 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.318 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.47 -42.1 98.6 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.215 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.01 -39.92 95.18 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -71.36 -30.1 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.0 mmm -55.05 -35.68 64.76 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -58.33 -41.98 85.78 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.959 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.12 -40.02 86.75 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.428 -0.509 . . . . 0.0 112.275 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -67.74 -38.13 83.09 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.469 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -91.18 70.78 6.22 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.386 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.91 -35.1 77.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.642 HD21 ' CG ' ' A' ' 66' ' ' ASP . 43.2 p-10 -64.62 -31.22 72.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.91 178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.58 11.2 69.01 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.119 -0.562 . . . . 0.0 111.934 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.667 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 56.8 p30 -61.28 -34.66 75.56 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.667 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 91.76 -0.34 73.32 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -178.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.456 ' H ' ' CG ' ' A' ' 66' ' ' ASP . 96.0 mt-10 -113.62 158.09 21.27 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.624 -0.788 . . . . 0.0 109.376 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -106.18 131.96 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.285 0.564 . . . . 0.0 110.679 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -100.99 157.52 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.132 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -52.78 -41.31 63.98 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.456 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.407 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.8 tt0 -59.05 -41.55 88.14 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.374 178.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' HG22 ' A' ' 76' ' ' VAL . 96.2 mt-10 -67.86 -38.45 83.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.408 0.623 . . . . 0.0 110.422 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -63.06 -46.06 89.25 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.4 p -60.56 -39.84 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.959 -178.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.3 m -74.84 -33.05 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 120.231 -0.588 . . . . 0.0 109.506 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.62 -44.43 89.95 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.688 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.57 -33.87 46.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.158 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.99 86.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.73 93.75 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.298 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.95 -37.46 87.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.03 0.443 . . . . 0.0 110.171 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.538 HG23 ' CG ' ' B' ' 8' ' ' MET . 55.0 m -54.18 -37.08 64.09 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.499 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.32 -35.54 58.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.776 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.33 88.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.499 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.48 -40.07 77.78 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -58.69 -43.81 90.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.373 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -63.03 -41.37 99.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.576 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -65.99 -35.1 79.66 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.659 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -53.17 -39.3 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.919 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -54.54 -35.09 62.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.735 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.53 -32.39 72.44 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.486 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -102.53 136.59 42.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.606 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.597 -179.896 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -62.79 153.93 31.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.563 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.8 -37.34 84.01 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.686 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 19.1 tp -60.98 -42.55 98.58 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.781 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.583 ' OE2' ' N ' ' A' ' 42' ' ' SER . 97.4 mt-10 -67.49 -39.45 85.21 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.727 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.3 m -61.5 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.629 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.64 -41.98 78.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.414 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.538 ' CG ' HG23 ' A' ' 82' ' ' THR . 63.7 ttp -63.02 -44.02 97.11 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.528 ' OE1' HD12 ' B' ' 12' ' ' ILE . 76.6 mm-40 -58.82 -31.22 68.27 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.005 0.431 . . . . 0.0 110.153 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.6 m -56.17 -36.27 68.14 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.355 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.94 -40.68 94.19 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.213 -0.995 . . . . 0.0 110.601 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.528 HD12 ' OE1' ' B' ' 9' ' ' GLU . 81.0 mt -63.63 -47.53 90.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.486 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.88 -40.87 94.65 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.51 -0.476 . . . . 0.0 112.234 -178.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 m -73.35 -38.67 54.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 119.992 -0.683 . . . . 0.0 111.008 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -61.88 -51.92 66.23 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.617 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -65.06 -45.6 84.67 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -52.48 55.78 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 119.801 -0.76 . . . . 0.0 111.731 -178.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.582 ' CG ' HD13 ' B' ' 36' ' ' LEU . 64.6 m80 -63.29 -45.08 93.08 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.903 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.502 ' O ' ' O ' ' B' ' 22' ' ' GLU . 86.6 p -63.55 -35.09 79.34 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.751 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.22 -40.57 94.87 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -59.61 -38.53 81.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.478 -0.361 . . . . 0.0 111.745 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' B' ' 19' ' ' SER . 77.8 mm-40 -116.2 152.72 33.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.038 0.447 . . . . 0.0 111.595 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' B' ' 22' ' ' GLU . . . 39.74 -161.89 0.01 OUTLIER Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.469 ' O ' ' O ' ' B' ' 27' ' ' LYS . 88.5 m-20 -70.79 136.1 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.428 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -60.53 -39.31 87.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.064 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -64.2 -33.43 75.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.939 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' B' ' 24' ' ' ASP . 85.8 mttt -116.51 143.16 45.94 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.591 0.71 . . . . 0.0 112.045 -179.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.56 HD12 ' OE1' ' B' ' 32' ' ' GLU . 14.5 tp -106.69 131.04 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.662 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.6 t -101.88 147.31 26.67 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -55.85 -36.37 67.46 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 118.662 -1.215 . . . . 0.0 110.135 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -55.55 -40.64 72.16 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 118.706 -1.198 . . . . 0.0 108.168 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.56 ' OE1' HD12 ' B' ' 28' ' ' LEU . 96.8 mt-10 -65.98 -36.7 84.03 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.72 -45.64 89.03 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.517 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -59.65 -43.75 93.77 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 118.82 -1.152 . . . . 0.0 110.362 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.92 -41.33 87.23 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.059 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.582 HD13 ' CG ' ' B' ' 18' ' ' HIS . 38.5 tp -65.66 -47.36 75.81 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 120.048 -0.661 . . . . 0.0 112.097 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -70.16 -40.75 74.53 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.742 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -63.42 -46.67 85.27 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.956 -0.697 . . . . 0.0 111.288 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.1 m -71.74 -43.94 64.95 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.72 -33.0 62.3 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.553 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.3 tp -99.67 140.31 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.293 0.568 . . . . 0.0 111.86 -177.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.61 ' O ' ' N ' ' B' ' 44' ' ' PHE . 23.9 t -51.67 -26.56 9.37 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.553 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -45.51 -8.91 0.02 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.61 ' N ' ' O ' ' B' ' 42' ' ' SER . 48.2 t80 -48.74 -42.44 35.32 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.37 -36.74 78.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.406 0.622 . . . . 0.0 109.368 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' B' ' 43' ' ' GLY . 58.8 t0 -80.25 10.99 3.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.788 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.528 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -61.74 -10.34 8.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.473 -178.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.603 ' O ' HG22 ' B' ' 51' ' ' VAL . 94.0 mt-30 -49.36 -162.76 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.369 0.604 . . . . 0.0 111.992 -179.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -54.79 -20.73 9.17 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.373 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.43 -33.49 54.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.324 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.674 ' O ' HG12 ' B' ' 54' ' ' VAL . 22.6 m -57.53 -17.11 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.745 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -56.19 -35.87 67.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.119 0.485 . . . . 0.0 109.774 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.16 -26.87 61.29 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.858 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.674 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.6 p -52.15 -36.95 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.279 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.47 -42.0 98.59 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.32 -0.952 . . . . 0.0 110.194 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.13 -39.74 94.68 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -71.43 -30.18 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 92.9 mmm -55.03 -35.64 64.65 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -58.36 -42.04 86.08 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.984 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.05 -40.03 87.05 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.277 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' B' ' 61' ' ' LEU . 0.5 OUTLIER -67.72 -38.18 83.23 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.485 179.8 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -91.08 70.76 6.31 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.471 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.89 -35.14 77.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.66 HD21 ' CG ' ' B' ' 66' ' ' ASP . 43.5 p-10 -64.61 -31.19 72.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.949 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.62 11.05 69.16 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 121.059 -0.591 . . . . 0.0 111.906 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.66 ' CG ' HD21 ' B' ' 64' ' ' ASN . 56.7 p30 -61.12 -34.71 75.41 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.657 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 91.82 -0.32 73.1 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.46 ' H ' ' CG ' ' B' ' 66' ' ' ASP . 96.1 mt-10 -113.68 158.18 21.22 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 114.602 -0.799 . . . . 0.0 109.332 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -106.25 131.97 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.365 0.602 . . . . 0.0 110.532 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -101.02 157.46 16.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.215 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -52.71 -41.32 63.81 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.481 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.404 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.7 tt0 -58.99 -41.64 88.1 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.435 178.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.407 ' O ' HG22 ' B' ' 76' ' ' VAL . 96.2 mt-10 -67.9 -38.42 82.96 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.403 178.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -63.04 -46.12 89.05 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.404 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.3 p -60.58 -39.78 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.964 -178.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.407 HG22 ' O ' ' B' ' 73' ' ' GLU . 33.3 m -74.84 -33.02 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 120.281 -0.568 . . . . 0.0 109.577 178.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.62 -44.52 89.98 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.685 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.55 -33.76 45.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.199 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.01 87.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.655 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.91 94.27 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.333 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.84 -37.48 87.54 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.212 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.524 HG23 ' CG ' ' A' ' 8' ' ' MET . 55.7 m -54.14 -37.23 64.14 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 87.7 t -59.1 -35.65 58.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.874 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.23 88.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.452 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.46 -40.18 77.96 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -58.57 -43.86 89.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.39 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -63.03 -41.38 99.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.567 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -65.99 -35.07 79.59 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.646 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.29 -39.23 63.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.826 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -54.54 -35.06 62.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.778 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.53 -32.38 72.43 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.501 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -102.55 136.66 41.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.515 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.607 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' B' ' 40' ' ' GLU . 61.7 m . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.814 0.34 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.92 -36.36 81.12 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.888 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.2 tp -60.38 -42.96 96.96 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.224 0.535 . . . . 0.0 109.833 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.85 -42.24 86.05 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -61.48 -43.17 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.032 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.0 -41.3 82.48 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.969 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.48 ' CG ' HG23 ' B' ' 82' ' ' THR . 63.8 ttp -62.51 -43.15 99.52 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.69 -31.28 68.08 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.277 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.5 m -55.99 -36.14 67.54 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.267 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.15 -40.6 94.47 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.972 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.9 -48.17 85.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.407 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -61.28 -41.28 96.68 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.538 -0.465 . . . . 0.0 112.253 -178.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.57 ' HB ' ' CE1' ' A' ' 18' ' ' HIS . 18.0 m -72.5 -39.31 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.381 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.86 -46.2 90.03 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.892 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.02 -49.34 75.0 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.933 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -45.86 83.63 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.706 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.57 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 35.8 m80 -61.7 -46.21 90.65 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.239 -0.585 . . . . 0.0 111.32 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.5 p -63.79 -36.55 84.27 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.231 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.08 -39.15 96.12 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.867 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -59.61 -41.3 90.08 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.467 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -125.12 149.86 47.45 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.946 0.403 . . . . 0.0 111.799 -179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.84 -154.51 4.77 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' A' ' 27' ' ' LYS . 88.5 m-20 -74.47 133.53 42.36 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.173 179.187 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.05 -40.93 95.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.244 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -65.67 -32.87 74.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.05 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' A' ' 24' ' ' ASP . 94.8 mttt -116.37 143.02 46.08 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 112.497 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -108.1 132.05 53.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.068 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.9 t -102.29 150.39 23.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.685 0.279 . . . . 0.0 110.486 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -54.35 -40.45 68.09 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.112 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -60.04 -42.31 94.17 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.622 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.467 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 97.3 mt-10 -65.81 -38.22 88.37 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.156 0.503 . . . . 0.0 110.184 178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.9 tp -62.15 -42.76 99.56 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.596 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.64 ' HZ3' HG21 ' A' ' 54' ' ' VAL . 12.4 tppt? -62.23 -47.47 84.25 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.054 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -63.83 -39.47 94.29 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.144 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 18' ' ' HIS . 14.7 tp -67.51 -56.83 7.96 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 tp -68.8 -40.86 79.38 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.714 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HB2' HE21 ' A' ' 38' ' ' GLN . 6.8 tp-100 -62.7 -44.89 95.06 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.714 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.7 m -70.93 -44.37 66.29 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 113.242 0.831 . . . . 0.0 113.242 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.47 ' O ' ' OG ' ' B' ' 2' ' ' SER . 77.1 mm-40 -75.1 -30.7 60.96 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 16.9 tp -94.5 139.73 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.069 0.461 . . . . 0.0 111.307 -177.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.589 ' O ' ' N ' ' A' ' 44' ' ' PHE . 23.8 t -52.64 -27.37 16.89 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.51 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -45.58 -10.53 0.02 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.589 ' N ' ' O ' ' A' ' 42' ' ' SER . 62.0 t80 -50.24 -41.84 50.86 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.086 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.1 mt -59.96 -32.67 71.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.852 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.659 ' C ' ' H ' ' A' ' 48' ' ' GLN . 89.0 m-20 -81.42 9.52 7.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.716 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.22 18.85 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.659 ' H ' ' C ' ' A' ' 46' ' ' ASP . 93.8 mt-30 -71.38 -165.8 0.16 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.975 0.417 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -56.73 -24.11 47.31 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.626 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -51.49 -32.75 28.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.601 ' O ' HG12 ' A' ' 54' ' ' VAL . 42.9 t -49.83 -40.34 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.149 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.81 -35.42 66.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.97 0.414 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.4 -26.89 54.68 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.982 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.64 HG21 ' HZ3' ' A' ' 34' ' ' LYS . 5.4 p -51.73 -36.81 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.967 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 54' ' ' VAL . 56.6 t0 -65.8 -45.22 83.2 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.357 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -63.34 -41.1 98.85 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.1 m -72.51 -29.58 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.747 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.8 ttt -54.51 -39.91 68.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.798 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -60.29 -39.36 86.65 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.325 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.05 -42.25 94.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.531 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.31 -38.83 85.59 Favored 'General case' 0 CA--C 1.521 -0.138 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.337 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.525 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 64.3 t0 -90.91 110.3 21.53 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.564 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.35 -33.49 75.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.15 0.5 . . . . 0.0 110.176 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -57.06 -39.05 74.16 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.066 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.99 4.51 67.61 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 108.126 -1.99 . . . . 0.0 108.126 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.8 p30 -63.58 -33.54 75.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.316 -0.942 . . . . 0.0 112.865 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.653 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.23 -0.06 63.64 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -102.83 143.55 32.3 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.56 132.49 49.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-O 121.683 0.754 . . . . 0.0 112.262 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 58.2 t0 -109.4 155.51 21.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.376 -1.284 . . . . 0.0 108.992 178.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.489 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 81.8 t80 -52.39 -41.34 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.12 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.47 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.6 tt0 -57.8 -40.47 80.0 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.064 -0.655 . . . . 0.0 110.291 178.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.49 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 95.1 mt-10 -67.28 -38.32 84.87 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.282 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.69 -45.19 91.18 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.532 HG13 ' HB1' ' B' ' 79' ' ' ALA . 3.2 p -60.35 -39.2 80.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.769 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 73' ' ' GLU . 28.4 m -76.26 -33.48 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.159 -0.617 . . . . 0.0 109.965 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.436 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 9.6 tt -60.97 -41.66 96.81 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 75' ' ' VAL . 22.2 m -72.37 -32.45 42.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 CA-C-O 121.319 0.581 . . . . 0.0 110.745 179.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.534 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -61.31 -36.66 80.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.934 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.44 94.07 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.581 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.495 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.5 mp -65.3 -37.32 86.78 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.126 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.471 HG23 ' CG ' ' B' ' 8' ' ' MET . 58.3 m -53.75 -37.4 63.34 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.377 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.4 t -59.77 -34.52 55.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.391 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.61 77.15 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.195 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.4 mmm -60.48 -37.25 80.46 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.924 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -59.63 -45.46 91.9 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.912 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -66.58 -44.46 82.17 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.121 0.486 . . . . 0.0 111.537 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -62.82 -42.56 99.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.03 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -53.02 -39.26 63.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.158 -177.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.77 -35.21 63.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.518 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.05 -32.83 73.39 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.607 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -100.84 120.58 40.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.616 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.551 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 61.3 m -62.65 153.4 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.793 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.78 -36.49 81.23 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.879 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 19.3 tp -60.32 -43.1 96.69 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.735 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.68 -42.38 86.61 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 42.8 m -61.4 -43.17 99.34 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.911 -0.715 . . . . 0.0 111.096 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.3 82.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.471 ' CG ' HG23 ' A' ' 82' ' ' THR . 63.9 ttp -62.53 -43.13 99.56 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.54 -31.54 68.04 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.038 0.447 . . . . 0.0 110.246 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.7 m -55.87 -36.16 67.3 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.336 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.14 -40.62 94.52 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.244 -0.983 . . . . 0.0 110.927 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -64.8 -48.18 85.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.415 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.35 -41.21 96.68 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.515 -0.474 . . . . 0.0 112.251 -178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.566 ' HB ' ' CE1' ' B' ' 18' ' ' HIS . 18.1 m -72.37 -39.5 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 119.827 -0.749 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.78 -46.21 89.88 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 119.925 -0.71 . . . . 0.0 109.9 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.04 -49.37 74.83 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.869 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.97 83.47 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.685 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.566 ' CE1' ' HB ' ' B' ' 14' ' ' VAL . 35.8 m80 -61.71 -46.21 90.63 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.265 -0.574 . . . . 0.0 111.275 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.6 p -63.88 -36.41 83.82 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.941 -0.704 . . . . 0.0 110.24 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.24 96.04 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.804 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -59.54 -41.32 89.77 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.461 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -125.16 149.84 47.52 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.026 0.441 . . . . 0.0 111.756 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.86 -154.51 4.8 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' B' ' 27' ' ' LYS . 88.9 m-20 -74.53 133.55 42.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.062 179.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.1 -40.82 95.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.291 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -65.62 -32.9 74.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.102 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' B' ' 24' ' ' ASP . 94.9 mttt -116.49 142.89 46.28 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.584 0.706 . . . . 0.0 112.459 -178.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 tp -108.04 132.14 53.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.034 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 26.8 t -102.31 150.46 23.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.693 0.282 . . . . 0.0 110.477 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -54.36 -40.51 68.16 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.085 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -60.02 -42.29 94.02 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.642 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.461 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 97.2 mt-10 -65.8 -38.33 88.68 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.08 0.467 . . . . 0.0 110.112 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.17 -42.52 99.35 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.671 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.67 ' HZ3' HG21 ' B' ' 54' ' ' VAL . 12.4 tppt? -62.52 -47.39 84.13 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.983 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -63.78 -39.54 94.52 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.129 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.475 HD13 ' CG ' ' B' ' 18' ' ' HIS . 14.9 tp -67.42 -56.85 7.98 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 tp -68.79 -40.85 79.39 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.719 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.77 -44.9 94.96 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.659 -179.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.9 m -70.94 -44.43 66.12 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.485 ' O ' ' OG ' ' A' ' 2' ' ' SER . 77.0 mm-40 -75.04 -30.68 61.12 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.518 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 16.9 tp -94.46 139.7 30.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.11 0.481 . . . . 0.0 111.307 -177.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.596 ' O ' ' N ' ' B' ' 44' ' ' PHE . 23.6 t -52.64 -27.37 16.89 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.518 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -45.61 -10.52 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.111 -1.196 . . . . 0.0 110.111 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.596 ' N ' ' O ' ' B' ' 42' ' ' SER . 62.0 t80 -50.19 -41.84 50.19 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.077 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.09 -32.54 71.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.816 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.669 ' C ' ' H ' ' B' ' 48' ' ' GLN . 88.9 m-20 -81.43 9.52 7.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.752 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.27 18.84 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.669 ' H ' ' C ' ' B' ' 46' ' ' ASP . 93.8 mt-30 -71.33 -165.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -56.77 -24.1 47.84 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.62 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -51.46 -32.78 28.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.606 ' O ' HG12 ' B' ' 54' ' ' VAL . 43.2 t -49.84 -40.33 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.189 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.76 -35.44 66.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.015 0.436 . . . . 0.0 110.776 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.51 -26.78 55.5 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.971 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.67 HG21 ' HZ3' ' B' ' 34' ' ' LYS . 5.4 p -51.72 -36.96 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.925 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.428 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 56.4 t0 -65.66 -45.19 83.91 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.446 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -63.43 -41.02 98.67 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 21.2 m -72.55 -29.52 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.771 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.9 ttt -54.53 -39.95 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -60.21 -39.37 86.36 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.357 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.13 -42.24 94.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.514 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 70.4 mt -67.24 -38.88 85.91 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.311 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 64.3 t0 -90.93 110.33 21.57 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.613 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.35 -33.5 75.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 0.0 110.218 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -56.9 -39.26 74.09 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.065 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.03 4.54 67.88 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 108.204 -1.958 . . . . 0.0 108.204 -177.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.656 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.7 p30 -63.58 -33.45 75.63 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 114.214 -0.993 . . . . 0.0 112.952 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.656 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.23 -0.1 63.68 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -178.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -102.82 143.6 32.24 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.57 132.49 49.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 121.764 0.792 . . . . 0.0 112.21 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 58.2 t0 -109.4 155.46 21.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.276 -1.329 . . . . 0.0 108.995 178.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.485 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 82.3 t80 -52.27 -41.4 62.82 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.739 -0.784 . . . . 0.0 110.117 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.465 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.6 tt0 -57.82 -40.38 79.87 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.327 179.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.492 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 95.1 mt-10 -67.36 -38.31 84.59 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.303 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.63 -45.36 90.63 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.534 HG13 ' HB1' ' A' ' 79' ' ' ALA . 3.0 p -60.23 -39.17 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 119.954 -0.699 . . . . 0.0 110.907 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 73' ' ' GLU . 28.3 m -76.26 -33.52 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.967 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' B' ' 81' ' ' LEU . 9.6 tt -60.86 -41.73 96.47 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.925 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.404 HG22 ' O ' ' B' ' 75' ' ' VAL . 21.9 m -72.29 -32.4 42.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 121.419 0.628 . . . . 0.0 110.882 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.532 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -61.31 -36.66 80.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.97 -179.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.5 93.89 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.563 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.496 ' H ' HD12 ' B' ' 81' ' ' LEU . 6.5 mp -65.29 -37.27 86.66 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.101 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.48 HG23 ' CG ' ' A' ' 8' ' ' MET . 58.7 m -53.81 -37.38 63.48 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.393 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.1 t -59.73 -34.49 55.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.405 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.03 -37.64 77.42 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.118 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 89.3 mmm -60.51 -37.3 80.68 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.92 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -59.57 -45.44 91.85 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.909 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -66.66 -44.49 81.7 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.14 0.495 . . . . 0.0 111.537 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -62.84 -42.48 99.75 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.051 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -53.06 -39.33 63.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.076 -177.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -54.59 -35.32 63.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.528 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.13 -32.75 73.37 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.574 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -100.95 120.63 40.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.598 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.511 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 C--O 1.234 0.243 0 CA-C-O 120.664 0.268 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.93 -38.21 87.59 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.641 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.52 -42.06 99.26 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 120.241 -0.584 . . . . 0.0 109.584 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.67 -41.57 99.15 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.616 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.0 m -63.75 -40.17 96.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.659 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.02 -43.9 90.93 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.367 -178.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.644 ' HB2' HG23 ' B' ' 82' ' ' THR . 15.5 ptp -64.71 -43.34 93.77 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 119.082 -1.047 . . . . 0.0 111.307 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -57.77 -31.94 67.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.066 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.4 m -56.03 -37.69 69.53 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.824 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.0 mt -62.9 -41.24 99.37 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.638 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.501 HG22 ' CD2' ' A' ' 16' ' ' HIS . 78.3 mt -64.89 -45.43 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.423 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -59.5 -43.16 93.43 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.711 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.437 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 23.3 m -72.59 -36.93 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.257 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.496 ' CE1' HD22 ' A' ' 28' ' ' LEU . 63.4 t80 -62.63 -49.14 76.35 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.086 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.501 ' CD2' HG22 ' A' ' 12' ' ' ILE . 7.4 m-70 -63.73 -48.49 76.84 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -51.42 59.1 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 119.83 -0.748 . . . . 0.0 111.973 -178.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.628 ' CG ' HD13 ' A' ' 36' ' ' LEU . 77.7 m80 -62.71 -46.57 87.48 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.68 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.479 ' O ' ' O ' ' A' ' 22' ' ' GLU . 20.8 t -60.34 -40.7 91.63 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.74 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.59 -35.89 92.49 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.948 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.94 -41.3 82.49 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.242 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.496 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -127.09 140.8 52.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.628 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.7 -166.04 53.36 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.388 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -73.0 141.99 47.73 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.86 -40.66 93.8 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.205 0.526 . . . . 0.0 110.625 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -68.0 -33.44 74.63 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -115.76 142.86 46.19 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -177.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' ' 15' ' ' PHE . 35.0 tp -108.24 132.31 53.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.748 177.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -104.28 151.94 22.81 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.449 ' HD2' HD23 ' A' ' 33' ' ' LEU . 26.3 tptp -55.89 -39.4 71.52 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.193 -179.158 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -59.18 -41.9 89.56 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.001 -1.08 . . . . 0.0 109.151 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.496 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.9 mt-10 -65.89 -37.37 85.95 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.456 0.646 . . . . 0.0 109.781 178.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.449 HD23 ' HD2' ' A' ' 30' ' ' LYS . 18.7 tp -61.3 -42.06 98.03 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.658 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.585 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 85.6 mttt -60.54 -43.2 97.45 Favored 'General case' 0 CA--C 1.513 -0.469 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.918 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.51 -39.25 91.62 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.96 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.628 HD13 ' CG ' ' A' ' 18' ' ' HIS . 45.3 tp -64.75 -52.65 55.88 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.949 -0.7 . . . . 0.0 112.596 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.7 mt -71.22 -36.27 71.81 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.966 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.567 HE22 ' HB2' ' A' ' 47' ' ' ALA . 67.5 tp60 -60.23 -46.62 89.14 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.574 -0.85 . . . . 0.0 110.812 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.6 m -74.82 -44.96 46.5 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.442 ' O ' ' OG ' ' B' ' 2' ' ' SER . 78.4 mm-40 -75.39 -31.29 60.39 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -176.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.667 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 17.4 tp -95.25 131.97 40.74 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -175.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.629 ' O ' ' N ' ' A' ' 44' ' ' PHE . 24.7 m -54.7 -29.56 53.41 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.667 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -44.3 -9.76 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 114.301 -1.318 . . . . 0.0 109.824 178.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.629 ' N ' ' O ' ' A' ' 42' ' ' SER . 63.7 t80 -47.07 -44.08 20.63 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -64.44 -41.81 96.36 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.456 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 43' ' ' GLY . 54.8 t0 -62.8 -34.63 77.67 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.29 179.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.576 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -29.0 -67.89 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.234 -177.182 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.596 ' O ' HG12 ' A' ' 51' ' ' VAL . 94.2 mt-30 32.93 -161.89 0.0 OUTLIER 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.166 0.508 . . . . 0.0 111.204 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.449 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 25.5 pttm -58.96 -29.02 66.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.445 0.641 . . . . 0.0 109.335 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.76 -33.21 55.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.174 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 54' ' ' VAL . 6.2 p -52.85 -32.95 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.934 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.2 p30 -58.95 -32.39 69.57 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.642 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.662 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -56.95 -27.52 61.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.827 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.664 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.5 p -54.06 -35.64 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.103 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.585 ' OD1' ' NZ ' ' A' ' 34' ' ' LYS . 87.3 m-20 -67.41 -44.6 78.42 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 119.812 -0.755 . . . . 0.0 112.812 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -68.82 -42.8 76.74 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 54' ' ' VAL . 2.8 p -61.72 -31.23 50.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.821 -1.082 . . . . 0.0 112.057 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.6 ttt -52.52 -37.53 57.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.82 -40.0 82.85 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.07 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.49 -40.43 85.21 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.877 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 61' ' ' LEU . 7.4 mp -68.63 -38.11 80.26 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.572 ' OD2' ' N ' ' A' ' 65' ' ' GLY . 23.5 t70 -84.6 100.62 11.54 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 119.454 -0.898 . . . . 0.0 111.029 -179.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.36 -34.74 76.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.294 0.569 . . . . 0.0 110.446 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -57.38 -37.98 73.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.811 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.572 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 79.23 4.91 89.16 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 107.819 -2.112 . . . . 0.0 107.819 -177.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.674 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.9 p30 -63.25 -34.47 77.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.201 -0.999 . . . . 0.0 112.806 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.674 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 93.44 -0.26 68.06 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -111.92 153.28 26.96 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.256 -0.472 . . . . 0.0 109.765 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.6 t -108.02 133.7 52.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.443 0.64 . . . . 0.0 111.633 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 55.3 t0 -101.45 155.68 17.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.099 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.487 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 76.3 t80 -52.05 -42.77 63.4 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.44 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -59.06 -40.56 85.55 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.366 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.52 -38.4 90.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.343 0.592 . . . . 0.0 109.804 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -63.21 -41.08 99.09 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.242 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.746 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.9 OUTLIER -60.23 -45.69 95.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.751 -179.31 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.83 -33.85 53.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.913 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.9 tp -58.22 -48.84 79.12 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.91 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.81 -33.6 31.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.746 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -60.81 -40.17 91.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.408 -178.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.06 96.22 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.979 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.7 -37.5 87.57 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.248 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.619 HG23 ' HB2' ' B' ' 8' ' ' MET . 58.5 m -53.59 -38.38 63.88 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.245 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 80.1 t -61.44 -34.55 61.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.642 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.05 85.64 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.914 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.9 ttp -57.16 -39.63 75.63 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.485 -0.886 . . . . 0.0 108.741 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -59.03 -41.49 87.94 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.54 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.93 -43.42 98.66 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.501 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -64.63 -35.01 79.64 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.932 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.34 -39.43 64.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.298 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.25 -34.9 61.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.195 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.8 -33.63 68.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.35 137.18 42.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.494 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.587 179.927 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 90.3 p -107.68 151.68 25.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 0.0 110.488 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.84 -38.18 87.23 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.686 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.59 -42.05 99.33 Favored 'General case' 0 C--O 1.244 0.765 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.587 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.63 -41.54 99.08 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.676 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.1 m -63.79 -40.19 96.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.669 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.96 -43.97 90.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.356 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.619 ' HB2' HG23 ' A' ' 82' ' ' THR . 15.6 ptp -64.64 -43.43 93.69 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.326 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -57.67 -32.01 66.9 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.16 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.4 m -56.03 -37.67 69.51 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 120.229 -0.589 . . . . 0.0 109.922 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.78 -41.28 99.19 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.673 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.496 HG22 ' CD2' ' B' ' 16' ' ' HIS . 78.5 mt -64.89 -45.45 94.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.349 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -59.57 -43.12 93.69 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.611 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 m -72.56 -37.13 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.14 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.497 ' CE1' HD22 ' B' ' 28' ' ' LEU . 63.3 t80 -62.47 -49.11 76.69 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.192 179.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.496 ' CD2' HG22 ' B' ' 12' ' ' ILE . 7.4 m-70 -63.78 -48.49 76.7 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.71 -51.53 58.6 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.963 -178.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.631 ' CG ' HD13 ' B' ' 36' ' ' LEU . 77.7 m80 -62.61 -46.67 87.22 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.173 -0.611 . . . . 0.0 111.656 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.484 ' O ' ' O ' ' B' ' 22' ' ' GLU . 20.8 t -60.34 -40.65 91.44 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.741 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.51 -35.99 92.61 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.956 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -57.94 -41.26 82.4 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.292 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.49 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -127.2 140.87 51.94 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.595 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.66 -166.03 53.32 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -73.05 142.06 47.62 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.91 -40.68 94.06 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.217 0.532 . . . . 0.0 110.585 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -67.88 -33.64 75.13 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -178.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -115.63 142.84 46.2 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.497 HD22 ' CE1' ' B' ' 15' ' ' PHE . 34.8 tp -108.18 132.35 53.72 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 114.408 -1.269 . . . . 0.0 108.835 177.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -104.33 151.91 22.88 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.444 ' HD2' HD23 ' B' ' 33' ' ' LEU . 26.3 tptp -55.81 -39.47 71.37 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.172 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -59.14 -41.89 89.36 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.165 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.49 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.9 mt-10 -65.94 -37.33 85.75 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.441 0.638 . . . . 0.0 109.789 178.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.444 HD23 ' HD2' ' B' ' 30' ' ' LYS . 18.5 tp -61.23 -42.1 98.02 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.641 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.592 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 85.5 mttt -60.55 -43.24 97.43 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.855 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.49 -39.24 91.67 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.965 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.631 HD13 ' CG ' ' B' ' 18' ' ' HIS . 45.2 tp -64.82 -52.49 56.51 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 119.826 -0.75 . . . . 0.0 112.657 -178.383 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.4 mt -71.32 -36.13 71.47 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 119.604 -0.838 . . . . 0.0 111.97 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.568 HE22 ' HB2' ' B' ' 47' ' ' ALA . 67.3 tp60 -60.3 -46.68 89.02 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.626 -0.83 . . . . 0.0 110.813 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 50.4 m -74.77 -44.96 46.9 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -75.36 -31.42 60.51 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -176.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.683 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 17.3 tp -95.18 132.02 40.58 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -175.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.618 ' O ' ' N ' ' B' ' 44' ' ' PHE . 24.5 m -54.78 -29.54 54.51 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.683 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -44.4 -9.66 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.865 178.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.618 ' N ' ' O ' ' B' ' 42' ' ' SER . 63.9 t80 -47.1 -44.06 20.97 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.466 HD13 ' O ' ' B' ' 45' ' ' LEU . 0.2 OUTLIER -64.48 -41.81 96.25 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.483 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' B' ' 47' ' ' ALA . 54.8 t0 -62.83 -34.59 77.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.33 179.178 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.594 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -29.02 -67.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.261 -177.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.594 ' O ' ' O ' ' B' ' 47' ' ' ALA . 94.2 mt-30 32.95 -161.96 0.0 OUTLIER 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 111.198 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.448 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 25.5 pttm -58.91 -28.94 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.382 0.61 . . . . 0.0 109.376 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.85 -33.23 55.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.155 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.669 ' O ' HG12 ' B' ' 54' ' ' VAL . 6.2 p -52.85 -32.89 18.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.955 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.2 p30 -59.06 -32.37 69.71 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.567 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.669 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -56.96 -27.47 61.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.879 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.669 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.5 p -54.06 -35.7 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.086 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.592 ' OD1' ' NZ ' ' B' ' 34' ' ' LYS . 87.2 m-20 -67.36 -44.57 78.65 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 119.77 -0.772 . . . . 0.0 112.841 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -68.88 -42.81 76.47 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.437 HG12 ' O ' ' B' ' 54' ' ' VAL . 2.8 p -61.59 -31.4 50.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.071 -177.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.5 ttt -52.43 -37.57 57.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.802 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -58.77 -40.06 82.84 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.072 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.45 -40.45 85.4 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.336 -0.545 . . . . 0.0 111.853 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.526 ' N ' HD12 ' B' ' 61' ' ' LEU . 7.4 mp -68.59 -38.11 80.38 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.587 ' OD2' ' N ' ' B' ' 65' ' ' GLY . 23.6 t70 -84.68 100.67 11.62 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.987 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.33 -34.81 76.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.298 0.571 . . . . 0.0 110.469 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -57.36 -38.02 73.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.748 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.587 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 79.27 4.96 89.21 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 107.841 -2.104 . . . . 0.0 107.841 -177.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.671 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.1 p30 -63.23 -34.47 77.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.095 -1.052 . . . . 0.0 112.838 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.671 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 93.39 -0.15 68.05 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -178.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -111.99 153.32 26.97 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.307 -0.446 . . . . 0.0 109.82 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 42.1 t -107.98 133.6 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.376 0.608 . . . . 0.0 111.628 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 55.4 t0 -101.49 155.79 17.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.177 178.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.478 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 76.4 t80 -52.13 -42.7 63.54 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.385 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -59.2 -40.51 85.97 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.101 -0.639 . . . . 0.0 110.406 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.54 -38.4 90.89 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.791 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -63.1 -41.1 99.3 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.322 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.746 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -60.26 -45.68 95.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.692 -179.264 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.81 -33.96 54.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.865 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.9 tp -58.11 -48.89 78.82 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.963 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.96 -33.4 29.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.087 0.47 . . . . 0.0 112.257 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.746 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -60.88 -40.21 92.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.332 -178.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.94 95.92 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.923 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.5 mt -63.66 -37.51 87.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.287 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.644 HG23 ' HB2' ' A' ' 8' ' ' MET . 58.9 m -53.55 -38.47 63.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.254 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.34 -34.58 61.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.72 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.41 -38.15 86.06 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.857 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 5.9 ttp -57.03 -39.7 75.3 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 119.498 -0.881 . . . . 0.0 108.721 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -58.97 -41.48 87.64 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.539 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.91 -43.44 98.56 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.478 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -64.61 -35.04 79.73 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.88 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -53.44 -39.38 64.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.24 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.19 -34.92 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.196 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.92 -33.5 68.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.606 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -104.41 137.19 42.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.605 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.445 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 33.3 t . . . . . 0 C--O 1.236 0.347 0 CA-C-O 121.016 0.436 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.64 -36.75 79.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.555 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.96 -42.47 98.35 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.004 -0.679 . . . . 0.0 109.857 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.874 ' OE2' HD12 ' B' ' 41' ' ' LEU . 77.2 mm-40 -67.06 -39.22 86.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.643 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -61.8 -43.03 99.66 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.931 -0.708 . . . . 0.0 110.401 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.04 -38.98 83.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.48 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.682 ' CG ' HG23 ' B' ' 82' ' ' THR . 48.2 ttm -61.02 -45.02 96.49 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.08 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.42 -31.55 67.83 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.212 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.8 m -56.52 -36.91 69.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.201 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.17 -42.31 99.15 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 118.998 -1.081 . . . . 0.0 110.659 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.0 mt -66.36 -43.34 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.02 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -60.18 -43.38 95.89 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.96 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 15' ' ' PHE . 20.6 m -74.46 -40.78 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.283 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.423 ' N ' HG23 ' A' ' 14' ' ' VAL . 65.9 t80 -63.38 -49.2 74.76 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.829 -0.749 . . . . 0.0 110.182 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -64.0 -46.88 82.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.34 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.36 -51.8 53.48 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.836 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.621 ' CG ' HD13 ' A' ' 36' ' ' LEU . 76.8 m80 -62.07 -46.62 88.33 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.069 -0.653 . . . . 0.0 111.416 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p -64.0 -35.26 80.11 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.355 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.25 -38.07 93.45 Favored Glycine 0 CA--C 1.522 0.487 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.175 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -58.92 -41.77 88.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.514 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -127.65 147.85 50.37 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.667 -179.358 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.61 -163.87 53.13 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 177.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -71.93 136.88 47.02 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.59 -39.2 90.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.122 0.487 . . . . 0.0 110.881 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -67.24 -33.8 76.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -119.05 150.63 39.66 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.3 tp -102.73 133.67 47.38 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 114.004 -1.453 . . . . 0.0 108.718 177.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.7 m -102.33 154.81 18.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.403 ' NZ ' ' HG3' ' A' ' 58' ' ' MET . 10.7 tptm -55.28 -42.15 73.22 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.921 -178.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -60.09 -42.04 93.77 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.127 -1.029 . . . . 0.0 109.558 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.1 mt-10 -66.56 -39.7 88.64 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.912 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.467 ' C ' HD23 ' A' ' 33' ' ' LEU . 9.7 tt -65.06 -43.03 93.61 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.868 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -60.74 -46.53 90.08 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.095 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.27 -38.8 88.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.11 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.621 HD13 ' CG ' ' A' ' 18' ' ' HIS . 48.6 tp -63.03 -45.4 92.5 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.099 -0.641 . . . . 0.0 111.846 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -70.07 -40.68 74.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.461 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -63.25 -45.12 93.03 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 119.734 -0.786 . . . . 0.0 111.306 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.1 m -70.9 -43.66 67.86 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.451 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.0 mm-40 -74.71 -32.03 62.03 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -177.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.883 HD12 ' OE2' ' B' ' 5' ' ' GLU . 14.1 tp -97.52 140.35 32.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.373 0.606 . . . . 0.0 111.787 -177.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.608 ' O ' ' N ' ' A' ' 44' ' ' PHE . 27.3 m -50.35 -27.31 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -44.47 -9.24 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.584 -1.007 . . . . 0.0 110.584 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.608 ' N ' ' O ' ' A' ' 42' ' ' SER . 58.9 t80 -49.35 -40.69 36.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.406 ' C ' ' H ' ' A' ' 47' ' ' ALA . 26.3 tp -58.31 -35.67 72.21 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 43' ' ' GLY . 89.2 m-20 -79.94 19.51 0.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.682 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -54.98 -21.88 13.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.368 -178.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.503 ' O ' ' O ' ' A' ' 47' ' ' ALA . 92.1 mm-40 -52.71 -154.6 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.3 0.571 . . . . 0.0 112.04 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 2.7 ptpp? -56.09 -24.44 40.26 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.58 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -52.6 -33.26 45.43 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.5 t -53.74 -35.47 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.256 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.9 p30 -56.91 -31.96 65.44 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.311 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.654 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -56.08 -27.07 52.11 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.329 0.585 . . . . 0.0 109.533 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 57' ' ' VAL . 73.0 t -54.1 -41.31 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.011 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.402 ' HA ' ' HZ1' ' A' ' 30' ' ' LYS . 89.5 m-20 -64.83 -43.7 92.21 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.807 -0.757 . . . . 0.0 111.878 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -63.54 -38.64 91.92 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 54' ' ' VAL . 29.1 m -69.92 -32.27 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 120.007 -0.677 . . . . 0.0 112.728 -178.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.403 ' HG3' ' NZ ' ' A' ' 30' ' ' LYS . 95.6 mmm -57.84 -40.06 79.17 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.427 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.22 -41.06 98.05 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.568 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.91 -46.23 72.17 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.796 HD22 HD12 ' A' ' 77' ' ' LEU . 6.3 mp -70.26 -39.44 74.96 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 120.004 -0.679 . . . . 0.0 112.734 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.511 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 62.9 t0 -89.37 109.2 20.13 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.658 -178.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.33 -34.36 78.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.29 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -55.58 -36.95 67.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.881 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.91 9.35 66.04 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 108.22 -1.952 . . . . 0.0 108.22 -177.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.675 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.5 p30 -62.72 -33.8 75.86 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 114.277 -0.962 . . . . 0.0 112.921 -178.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.675 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.24 -7.23 66.55 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.289 -1.525 . . . . 0.0 109.289 -178.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 58.5 mp0 -114.46 153.46 29.9 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.1 m -126.05 152.54 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 122.017 0.913 . . . . 0.0 112.813 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.3 t0 -102.95 159.76 15.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 113.77 -1.559 . . . . 0.0 108.526 178.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.493 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 74.5 t80 -51.16 -40.74 59.29 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.656 -179.481 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.461 ' O ' HG12 ' A' ' 75' ' ' VAL . 51.3 tt0 -58.08 -41.89 84.42 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.579 178.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 76' ' ' VAL . 94.6 mt-10 -68.41 -38.11 80.95 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.144 178.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -63.35 -44.92 93.47 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.5 p -59.93 -39.84 81.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.634 -178.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 73' ' ' GLU . 35.2 m -74.37 -32.74 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.381 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.796 HD12 HD22 ' A' ' 61' ' ' LEU . 15.7 tp -56.66 -45.61 81.57 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.314 -0.555 . . . . 0.0 110.135 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.18 -34.63 45.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.307 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.12 -37.6 85.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.934 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.68 95.96 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.126 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.0 mt -64.25 -36.97 85.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.132 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.677 HG23 ' CG ' ' B' ' 8' ' ' MET . 47.9 m -54.16 -36.77 63.7 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.68 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 70.5 t -58.64 -34.58 51.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.037 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.55 -37.48 75.79 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.29 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.2 mmm -60.61 -37.9 82.91 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.217 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -60.09 -45.86 91.52 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.694 -0.802 . . . . 0.0 111.036 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -65.9 -44.22 85.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.133 0.492 . . . . 0.0 111.476 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -62.54 -42.56 99.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.305 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -53.49 -39.01 64.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.915 -178.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -54.55 -34.87 62.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.539 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.5 -32.91 72.95 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.488 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -104.51 137.04 42.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.489 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.483 -179.929 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.451 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 33.4 t -107.55 142.38 37.55 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 110.646 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.76 -36.62 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.14 -42.33 98.35 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.0 -0.68 . . . . 0.0 109.85 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.883 ' OE2' HD12 ' A' ' 41' ' ' LEU . 77.0 mm-40 -67.2 -39.14 86.31 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.554 179.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.1 m -61.81 -43.18 99.36 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.304 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.95 83.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.432 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.677 ' CG ' HG23 ' A' ' 82' ' ' THR . 48.1 ttm -60.97 -44.97 96.58 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-O 120.96 0.409 . . . . 0.0 112.023 -178.497 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.47 -31.61 67.98 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.261 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.8 m -56.54 -36.89 69.78 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.182 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.19 -42.26 99.12 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 118.911 -1.116 . . . . 0.0 110.706 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.1 mt -66.34 -43.36 91.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.973 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -60.18 -43.54 95.77 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.937 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.422 HG23 ' N ' ' B' ' 15' ' ' PHE . 20.2 m -74.31 -40.82 50.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 120.039 -0.665 . . . . 0.0 111.315 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.422 ' N ' HG23 ' B' ' 14' ' ' VAL . 65.9 t80 -63.29 -49.27 74.67 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.229 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -63.96 -46.91 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.337 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.32 -51.86 53.0 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.837 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.622 ' CG ' HD13 ' B' ' 36' ' ' LEU . 76.9 m80 -62.02 -46.62 88.36 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.495 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -63.99 -35.26 80.11 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.407 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.83 93.16 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.199 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -59.07 -41.77 88.76 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.509 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.7 mm-40 -127.68 147.87 50.39 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.681 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.5 -163.94 52.92 Favored Glycine 0 C--N 1.33 0.223 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -71.82 136.95 47.24 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -61.66 -39.22 90.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 0.0 110.786 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -67.2 -33.88 76.32 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -178.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -119.01 150.67 39.56 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.4 tp -102.76 133.62 47.51 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 114.02 -1.445 . . . . 0.0 108.659 177.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.6 m -102.29 154.72 18.78 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -55.17 -42.16 72.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -60.03 -42.06 93.57 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.163 -1.015 . . . . 0.0 109.617 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.509 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.1 mt-10 -66.56 -39.79 88.69 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.916 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.472 HD23 ' C ' ' B' ' 33' ' ' LEU . 9.7 tt -65.05 -43.0 93.73 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.892 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -60.8 -46.46 90.44 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 119.456 -0.897 . . . . 0.0 111.123 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.17 -38.81 88.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.17 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.622 HD13 ' CG ' ' B' ' 18' ' ' HIS . 49.0 tp -63.2 -45.25 92.6 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.765 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -70.04 -40.76 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.422 179.313 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -63.34 -45.14 92.6 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.759 -0.777 . . . . 0.0 111.178 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 52.6 m -70.9 -43.65 67.87 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.445 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 76.9 mm-40 -74.67 -32.1 62.12 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.874 HD12 ' OE2' ' A' ' 5' ' ' GLU . 14.2 tp -97.5 140.38 32.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.371 0.605 . . . . 0.0 111.733 -177.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.601 ' O ' ' N ' ' B' ' 44' ' ' PHE . 27.7 m -50.29 -27.23 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.391 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' B' ' 46' ' ' ASP . . . -44.64 -9.09 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 178.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.601 ' N ' ' O ' ' B' ' 42' ' ' SER . 58.9 t80 -49.45 -40.61 37.56 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.432 ' C ' ' H ' ' B' ' 47' ' ' ALA . 26.2 tp -58.31 -35.74 72.31 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' B' ' 43' ' ' GLY . 89.1 m-20 -79.91 19.54 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.663 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' B' ' 44' ' ' PHE . . . -54.93 -22.0 13.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.341 -179.061 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.495 ' O ' ' O ' ' B' ' 47' ' ' ALA . 92.1 mm-40 -52.65 -154.59 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.356 0.598 . . . . 0.0 112.053 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 2.7 ptpp? -55.98 -24.58 39.55 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.588 -178.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -52.55 -33.21 44.62 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.2 t -53.73 -35.44 26.85 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.289 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.66 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 52.1 p30 -56.94 -31.95 65.49 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.397 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.66 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -56.18 -26.87 52.4 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.282 0.563 . . . . 0.0 109.511 179.196 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.418 ' O ' HG22 ' B' ' 57' ' ' VAL . 73.0 t -54.12 -41.31 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.01 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -64.8 -43.77 92.11 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 119.8 -0.76 . . . . 0.0 111.891 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -63.53 -38.62 91.81 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 54' ' ' VAL . 29.4 m -69.99 -32.16 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 119.978 -0.689 . . . . 0.0 112.78 -178.128 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 95.4 mmm -57.94 -39.97 79.35 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.445 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.27 -41.0 98.08 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.59 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.9 -46.22 72.21 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.79 HD22 HD12 ' B' ' 77' ' ' LEU . 6.3 mp -70.25 -39.59 74.93 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.079 -0.648 . . . . 0.0 112.717 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.524 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 62.9 t0 -89.32 109.31 20.22 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 119.467 -0.893 . . . . 0.0 111.743 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.42 -34.39 78.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.309 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -55.43 -37.02 67.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.96 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.08 9.15 66.31 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 108.188 -1.965 . . . . 0.0 108.188 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.681 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.5 p30 -62.65 -33.78 75.73 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 114.309 -0.945 . . . . 0.0 112.981 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.681 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.3 -7.12 66.35 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 58.6 mp0 -114.63 153.44 30.16 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 26.2 m -126.09 152.51 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.979 0.895 . . . . 0.0 112.826 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.6 t0 -103.0 159.76 15.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.786 -1.552 . . . . 0.0 108.429 178.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.492 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 74.8 t80 -51.11 -40.75 59.17 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.45 -0.9 . . . . 0.0 109.603 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.456 ' O ' HG12 ' B' ' 75' ' ' VAL . 51.3 tt0 -58.09 -41.92 84.5 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.597 178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.412 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.6 mt-10 -68.34 -38.04 81.1 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.576 0.703 . . . . 0.0 110.198 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -63.47 -44.91 93.07 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.456 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.4 p -59.95 -39.79 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.634 -178.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.412 HG22 ' O ' ' B' ' 73' ' ' GLU . 35.2 m -74.37 -32.94 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.355 178.069 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.79 HD12 HD22 ' B' ' 61' ' ' LEU . 15.7 tp -56.54 -45.59 81.09 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.135 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.25 -34.59 44.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.249 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.53 85.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.907 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.68 95.7 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.039 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.2 -36.96 85.78 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.106 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.682 HG23 ' CG ' ' A' ' 8' ' ' MET . 49.4 m -54.21 -36.8 63.85 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.628 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.7 t -58.56 -34.68 51.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.013 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.57 -37.37 75.6 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.351 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 89.4 mmm -60.63 -37.87 82.91 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.214 -0.595 . . . . 0.0 111.251 178.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -60.09 -45.87 91.47 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.078 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -65.87 -44.3 85.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.119 0.485 . . . . 0.0 111.413 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -62.53 -42.54 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.208 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -53.52 -39.06 64.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.967 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -54.48 -34.9 62.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.54 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.44 -32.89 72.87 Favored 'General case' 0 N--CA 1.461 0.087 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.558 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -104.57 137.02 43.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.44 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.531 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.95 0.405 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -58.2 -37.3 74.53 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.204 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.9 tp -59.37 -42.27 91.23 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.78 -40.11 94.72 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.19 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.8 m -60.26 -42.82 96.15 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.421 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.429 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -67.36 -39.67 85.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.668 ' CG ' HG23 ' B' ' 82' ' ' THR . 47.7 ttm -60.6 -43.86 96.94 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.299 -178.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -57.93 -30.55 66.03 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.26 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.429 HG21 ' HB2' ' B' ' 7' ' ' ALA . 40.5 m -55.01 -38.34 67.77 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.997 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.9 mt -64.51 -41.18 96.57 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.576 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.425 ' CG2' ' CE1' ' A' ' 16' ' ' HIS . 76.2 mt -64.38 -45.85 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.207 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.08 -42.95 95.71 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.781 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.0 m -71.02 -36.5 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.004 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.82 -48.12 82.98 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.934 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.425 ' CE1' ' CG2' ' A' ' 12' ' ' ILE . 41.4 m80 -63.45 -47.46 81.79 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.9 -48.8 75.18 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.198 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.561 ' CG ' HD13 ' A' ' 36' ' ' LEU . 75.3 m80 -63.35 -45.94 88.89 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.466 179.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 22' ' ' GLU . 24.7 m -58.95 -40.88 86.01 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.714 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.62 -37.71 93.86 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.931 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.07 -42.26 89.94 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.4 mt-10 -123.83 149.18 46.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.12 -116.79 9.61 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 109.061 -1.616 . . . . 0.0 109.061 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' C ' ' OD1' ' A' ' 24' ' ' ASP . 51.7 p30 -143.6 159.07 43.11 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 178.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -61.91 -37.94 86.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.424 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -64.34 -35.78 81.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.54 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -127.39 144.5 51.04 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.552 0.691 . . . . 0.0 112.344 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.429 HD12 ' CD ' ' A' ' 32' ' ' GLU . 12.4 tp -108.27 125.77 52.05 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.4 p -83.66 156.07 22.85 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.667 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 16.1 tptm -60.18 -44.69 94.87 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.44 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.84 -41.4 91.28 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.675 -0.81 . . . . 0.0 108.949 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.542 ' OE2' ' O ' ' A' ' 18' ' ' HIS . 84.5 tt0 -63.26 -38.34 90.79 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.864 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.746 HD22 HG21 ' A' ' 69' ' ' VAL . 18.5 tp -62.53 -43.67 98.24 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.48 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.506 ' O ' ' OE1' ' A' ' 38' ' ' GLN . 32.3 ttpt -60.24 -46.61 89.18 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.755 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.51 -38.54 91.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.605 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.561 HD13 ' CG ' ' A' ' 18' ' ' HIS . 50.3 tp -61.67 -45.58 93.39 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.697 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -69.15 -43.48 74.23 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.816 179.083 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.531 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -65.44 -42.77 92.04 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.975 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -69.86 -44.55 69.61 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 77.2 mm-40 -75.99 -31.25 58.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.532 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 14.3 tp -97.78 137.84 36.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.456 0.646 . . . . 0.0 111.92 -176.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.61 ' O ' ' N ' ' A' ' 44' ' ' PHE . 25.7 m -51.73 -28.36 14.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.126 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.532 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -44.66 -9.85 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.61 ' N ' ' O ' ' A' ' 42' ' ' SER . 66.0 t80 -49.53 -39.41 34.27 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.7 tp -56.77 -35.43 68.65 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.686 ' C ' ' H ' ' A' ' 48' ' ' GLN . 88.6 m-20 -79.88 12.61 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.309 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -55.5 19.32 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.317 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.686 ' H ' ' C ' ' A' ' 46' ' ' ASP . 81.3 mt-30 -65.21 161.77 18.6 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -53.74 -26.28 22.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.792 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.99 -35.07 63.95 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 48' ' ' GLN . 5.5 p -53.75 -19.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.763 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.0 p30 -56.54 -30.6 63.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.693 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.654 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -57.09 -27.78 62.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 51' ' ' VAL . 6.8 p -53.51 -34.94 24.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.905 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.543 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 56.2 t0 -65.02 -43.8 91.25 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.806 -0.758 . . . . 0.0 112.344 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -69.63 -44.08 71.36 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.465 0.65 . . . . 0.0 112.499 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 54' ' ' VAL . 3.9 p -62.5 -32.5 55.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.476 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.573 ' O ' ' SD ' ' A' ' 58' ' ' MET . 3.3 tmm? -55.4 -36.54 66.55 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.099 0.476 . . . . 0.0 110.526 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -58.19 -37.46 74.8 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.073 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.17 -38.85 92.52 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.449 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.575 ' N ' HD12 ' A' ' 61' ' ' LEU . 8.4 mp -67.17 -38.03 84.76 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.812 178.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.513 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 63.6 t0 -85.88 108.8 18.32 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.947 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.61 -33.22 75.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.973 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -56.07 -38.64 70.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.046 -177.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.1 5.93 81.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 108.366 -1.894 . . . . 0.0 108.366 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.655 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.4 p30 -63.29 -32.97 74.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.398 -0.901 . . . . 0.0 112.53 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.655 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.55 -3.61 63.45 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.478 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 95.9 mt-10 -112.03 151.91 28.78 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.746 HG21 HD22 ' A' ' 33' ' ' LEU . 41.3 t -111.06 133.79 55.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.563 0.697 . . . . 0.0 111.589 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -99.41 157.85 16.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.051 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -52.59 -42.14 64.26 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.095 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.443 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.5 tt0 -58.63 -41.23 85.46 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.226 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.485 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 96.5 mt-10 -68.11 -39.0 82.89 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.387 0.613 . . . . 0.0 110.494 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.06 -45.15 90.05 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.539 HG13 ' HB1' ' B' ' 79' ' ' ALA . 4.0 p -59.94 -38.95 78.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.594 -178.36 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.6 m -75.96 -32.8 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.783 178.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.432 HD23 ' C ' ' A' ' 77' ' ' LEU . 10.0 tt -60.72 -41.65 95.7 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 75' ' ' VAL . 25.2 m -72.48 -32.0 40.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 121.25 0.547 . . . . 0.0 110.993 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.534 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -61.23 -36.26 79.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.131 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.1 93.26 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.525 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.5 mp -65.54 -36.46 83.86 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.144 0.497 . . . . 0.0 109.936 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.669 HG23 ' CG ' ' B' ' 8' ' ' MET . 51.4 m -53.73 -36.99 62.89 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.737 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.0 t -58.98 -34.77 53.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.094 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.26 -36.88 76.3 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.242 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 88.9 mmm -60.04 -37.58 80.21 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.011 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -60.0 -46.16 90.39 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.574 -0.851 . . . . 0.0 111.161 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -65.5 -44.36 87.25 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.025 0.441 . . . . 0.0 111.472 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -62.58 -41.83 99.18 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.405 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -53.63 -39.31 64.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.094 -177.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.27 -34.78 61.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.065 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.67 -33.24 68.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -103.64 136.98 42.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.557 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.561 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.727 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -62.83 154.37 30.15 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.596 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -58.17 -37.33 74.5 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.19 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 14.8 tp -59.27 -42.35 91.0 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.78 -40.05 94.62 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.217 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.0 m -60.23 -42.82 96.03 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.522 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.429 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -67.36 -39.57 85.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.998 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.669 ' CG ' HG23 ' A' ' 82' ' ' THR . 47.8 ttm -60.69 -43.88 97.23 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.348 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -57.85 -30.52 65.86 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.322 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.429 HG21 ' HB2' ' A' ' 7' ' ' ALA . 41.0 m -55.15 -38.22 67.98 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.057 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.2 mt -64.47 -41.23 96.62 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.06 -1.056 . . . . 0.0 110.587 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.516 HG22 ' CD2' ' B' ' 16' ' ' HIS . 75.8 mt -64.31 -45.89 94.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.221 -179.207 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.06 -42.95 95.61 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.799 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.411 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 24.8 m -71.08 -36.42 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.12 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.402 ' O ' ' OG ' ' B' ' 19' ' ' SER . 68.8 t80 -59.79 -48.16 82.82 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 119.338 -0.945 . . . . 0.0 109.896 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.516 ' CD2' HG22 ' B' ' 12' ' ' ILE . 94.7 m-70 -63.42 -47.46 81.82 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -48.76 75.28 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.154 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.559 ' CG ' HD13 ' B' ' 36' ' ' LEU . 75.4 m80 -63.36 -46.01 88.54 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.494 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.442 ' O ' ' O ' ' B' ' 22' ' ' GLU . 24.5 m -58.9 -40.78 85.51 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.789 -179.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.63 -37.8 93.95 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.9 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.1 -42.21 89.95 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' B' ' 19' ' ' SER . 95.4 mt-10 -123.89 149.07 46.27 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.24 -116.8 9.66 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' B' ' 27' ' ' LYS . 51.7 p30 -143.58 159.13 43.0 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -61.91 -37.95 86.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.456 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -64.33 -35.86 82.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.527 -178.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.436 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 41.3 mtmt -127.31 144.37 51.06 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.542 0.687 . . . . 0.0 112.414 -178.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.431 HD12 ' CD ' ' B' ' 32' ' ' GLU . 12.4 tp -108.06 125.78 51.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 177.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.4 p -83.68 155.97 22.87 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.69 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 16.0 tptm -60.11 -44.64 94.71 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.548 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.91 -41.32 91.44 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 119.654 -0.818 . . . . 0.0 108.98 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.538 ' OE2' ' O ' ' B' ' 18' ' ' HIS . 84.6 tt0 -63.34 -38.28 90.52 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.832 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.738 HD22 HG21 ' B' ' 69' ' ' VAL . 18.4 tp -62.53 -43.55 98.53 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.493 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.51 ' O ' ' OE1' ' B' ' 38' ' ' GLN . 32.3 ttpt -60.4 -46.62 89.33 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.681 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.38 -38.65 91.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.658 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.559 HD13 ' CG ' ' B' ' 18' ' ' HIS . 50.3 tp -61.6 -45.6 93.4 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.682 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -69.22 -43.51 73.95 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.803 179.175 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.536 ' CD ' ' N ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -65.36 -42.79 92.41 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 119.842 -0.743 . . . . 0.0 112.069 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.4 m -69.89 -44.53 69.55 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.512 ' OE2' ' CE1' ' B' ' 18' ' ' HIS . 77.3 mm-40 -75.97 -31.29 58.95 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.53 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 14.2 tp -97.71 137.84 35.99 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.495 0.664 . . . . 0.0 111.999 -176.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.594 ' O ' ' N ' ' B' ' 44' ' ' PHE . 27.5 m -51.84 -28.28 15.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.098 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.53 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -44.61 -9.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.594 ' N ' ' O ' ' B' ' 42' ' ' SER . 65.9 t80 -49.45 -39.44 33.2 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.8 -35.4 68.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.685 ' C ' ' H ' ' B' ' 48' ' ' GLN . 88.8 m-20 -79.88 12.58 2.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.299 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' B' ' 44' ' ' PHE . . . -55.39 19.14 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.319 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.685 ' H ' ' C ' ' B' ' 46' ' ' ASP . 81.3 mt-30 -64.99 161.75 18.02 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -53.77 -26.31 23.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.764 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.05 -34.91 63.94 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.657 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.5 p -53.76 -19.44 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.669 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.641 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.0 p30 -56.44 -30.69 63.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.684 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.641 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.01 -27.82 61.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.657 HG12 ' O ' ' B' ' 51' ' ' VAL . 6.7 p -53.46 -34.93 24.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.945 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.543 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 56.4 t0 -65.1 -43.8 90.88 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.744 -0.783 . . . . 0.0 112.34 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -69.57 -44.13 71.46 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.459 0.647 . . . . 0.0 112.528 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.411 HG12 ' O ' ' B' ' 54' ' ' VAL . 3.9 p -62.45 -32.45 55.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.487 -177.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.568 ' O ' ' SD ' ' B' ' 58' ' ' MET . 3.3 tmm? -55.48 -36.5 66.68 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.104 0.478 . . . . 0.0 110.517 -179.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -58.29 -37.34 74.84 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.054 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.32 -38.78 92.25 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.365 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.581 ' N ' HD12 ' B' ' 61' ' ' LEU . 8.4 mp -67.27 -37.9 84.22 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.848 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.515 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 63.7 t0 -85.98 108.8 18.38 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.884 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.64 -33.25 75.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.003 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -55.99 -38.59 70.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.12 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.08 5.81 81.4 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.5 p30 -63.17 -33.03 74.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.307 -0.946 . . . . 0.0 112.581 -179.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.61 -3.57 63.29 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -178.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 95.9 mt-10 -112.09 151.87 28.91 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.738 HG21 HD22 ' B' ' 33' ' ' LEU . 41.2 t -111.04 133.79 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.494 0.664 . . . . 0.0 111.638 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -99.42 157.83 16.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.021 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -52.56 -42.13 64.16 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.125 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.429 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.5 tt0 -58.73 -41.12 85.67 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.281 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.493 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 96.5 mt-10 -68.14 -38.99 82.77 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.396 0.617 . . . . 0.0 110.529 179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -64.05 -45.14 90.12 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.534 HG13 ' HB1' ' A' ' 79' ' ' ALA . 3.9 p -59.96 -38.92 78.58 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 119.774 -0.77 . . . . 0.0 110.616 -178.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 73' ' ' GLU . 32.6 m -76.03 -32.83 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.696 178.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.436 HD23 ' C ' ' B' ' 77' ' ' LEU . 10.0 tt -60.72 -41.6 95.61 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.232 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.425 HG22 ' O ' ' B' ' 75' ' ' VAL . 25.1 m -72.5 -31.92 39.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.28 0.562 . . . . 0.0 111.01 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.539 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -61.34 -36.21 79.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.125 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.12 93.23 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.039 -0.665 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.52 ' H ' HD12 ' B' ' 81' ' ' LEU . 6.5 mp -65.46 -36.45 83.94 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.161 0.505 . . . . 0.0 110.037 178.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.668 HG23 ' CG ' ' A' ' 8' ' ' MET . 50.3 m -53.81 -36.85 62.92 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.778 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.95 -34.91 54.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.085 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.93 76.1 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.317 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 88.7 mmm -60.14 -37.58 80.52 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.946 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -59.87 -46.3 89.76 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.15 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -65.39 -44.5 87.31 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.046 0.45 . . . . 0.0 111.473 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -62.54 -41.83 99.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.426 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -53.59 -39.25 64.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.119 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.32 -34.73 61.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.103 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.61 -33.35 68.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -103.6 136.9 42.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.601 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.529 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.236 0.394 0 CA-C-O 121.089 0.471 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.09 -36.31 77.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.411 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.64 -42.45 96.96 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.753 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.881 ' OE2' HD12 ' B' ' 41' ' ' LEU . 77.0 mm-40 -66.88 -39.32 87.47 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.668 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.0 m -61.53 -43.13 99.42 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.405 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -68.5 -38.37 80.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.716 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.665 ' CG ' HG23 ' B' ' 82' ' ' THR . 46.7 ttm -59.9 -43.33 94.89 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 120.998 0.428 . . . . 0.0 112.124 -178.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.96 -31.15 66.59 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.262 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.443 HG21 ' HB2' ' B' ' 7' ' ' ALA . 38.6 m -56.15 -37.43 69.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.356 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.4 mt -63.0 -41.16 99.51 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.053 -1.059 . . . . 0.0 110.559 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.0 mt -64.99 -45.09 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.031 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -60.55 -41.13 93.9 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.896 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.416 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 27.4 m -73.73 -38.68 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.469 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 19' ' ' SER . 71.1 t80 -62.8 -49.76 73.66 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.491 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -64.18 -47.94 77.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.434 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.05 -52.45 42.04 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.056 -0.658 . . . . 0.0 112.061 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.467 ' CE1' ' OE2' ' A' ' 40' ' ' GLU . 77.5 m80 -62.82 -48.33 79.57 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.519 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 15' ' ' PHE . 20.1 t -61.71 -40.15 94.02 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.959 0.409 . . . . 0.0 110.715 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.549 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . . . -63.04 -37.36 94.82 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.849 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -58.76 -41.31 86.28 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.522 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -126.72 150.3 49.12 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.934 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.04 -163.65 53.9 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.69 137.63 49.93 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.549 ' NZ ' ' O ' ' A' ' 20' ' ' GLY . 65.4 mmtt -61.16 -40.72 94.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.211 0.529 . . . . 0.0 110.078 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -69.42 -33.59 73.2 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -116.06 149.59 38.67 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -176.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -104.32 131.27 51.84 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.0 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -98.79 150.91 21.36 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.574 ' HZ2' ' CG ' ' A' ' 55' ' ' ASP . 59.1 tttt -55.57 -39.16 70.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 118.521 -1.272 . . . . 0.0 110.945 -177.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -56.58 -40.9 76.02 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 118.452 -1.299 . . . . 0.0 108.516 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.522 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.2 mt-10 -66.46 -36.67 83.33 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.337 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.682 HD22 HG21 ' A' ' 69' ' ' VAL . 16.6 tp -66.85 -50.73 61.63 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -60.46 -43.82 96.52 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.576 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.65 -37.74 85.44 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.471 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.6 tt -64.89 -43.93 91.28 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.061 -0.656 . . . . 0.0 110.448 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.613 HD12 HD22 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -68.14 -40.72 82.37 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.155 179.361 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.436 ' NE2' ' CB ' ' A' ' 47' ' ' ALA . 62.7 tt0 -63.32 -45.68 90.2 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.426 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.2 m -70.87 -43.35 68.61 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.467 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 77.2 mm-40 -74.62 -32.33 62.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.892 HD12 ' OE2' ' B' ' 5' ' ' GLU . 13.6 tp -97.98 140.31 32.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.11 0.481 . . . . 0.0 111.171 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.584 ' O ' ' N ' ' A' ' 44' ' ' PHE . 87.6 p -54.29 -24.49 19.23 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.591 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -46.42 -9.7 0.03 OUTLIER Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.584 ' N ' ' O ' ' A' ' 42' ' ' SER . 46.4 t80 -47.66 -42.19 24.04 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.97 -35.21 79.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.205 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.672 ' C ' ' H ' ' A' ' 48' ' ' GLN . 28.4 p30 -90.12 13.17 15.73 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.287 -178.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.57 ' HA ' HG11 ' A' ' 51' ' ' VAL . . . -56.47 20.26 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.672 ' H ' ' C ' ' A' ' 46' ' ' ASP . 93.2 mt-30 -60.55 162.09 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -48.85 -18.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -55.37 -34.79 64.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.033 0.444 . . . . 0.0 110.164 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.609 ' O ' HG12 ' A' ' 54' ' ' VAL . 17.9 m -58.39 -10.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.335 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.7 p30 -58.63 -30.34 67.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.887 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.654 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -57.66 -27.19 62.63 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.673 0.749 . . . . 0.0 109.292 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.632 ' O ' HG22 ' A' ' 57' ' ' VAL . 6.1 p -51.86 -36.79 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.574 ' CG ' ' HZ2' ' A' ' 30' ' ' LYS . 54.7 t0 -60.72 -42.06 96.52 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.59 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.43 -38.04 89.62 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.499 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 54' ' ' VAL . 2.2 m -68.61 -29.49 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.946 -178.006 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.0 mmm -55.51 -39.39 70.45 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.818 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -62.02 -43.28 99.18 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.007 -0.677 . . . . 0.0 111.099 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.33 -42.35 88.31 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.482 ' HG ' ' N ' ' A' ' 62' ' ' ASP . 0.6 OUTLIER -78.11 -36.95 47.36 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.307 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.49 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 63.6 t0 -87.67 110.47 20.44 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.308 -179.235 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.04 -33.49 75.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.366 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -56.77 -38.9 73.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.857 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.21 4.86 64.74 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 108.209 -1.957 . . . . 0.0 108.209 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.658 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.9 p30 -63.31 -33.97 76.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.379 -0.91 . . . . 0.0 112.899 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.658 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.65 0.36 64.61 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 109.724 -1.351 . . . . 0.0 109.724 -178.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -109.32 152.46 25.25 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.682 HG21 HD22 ' A' ' 33' ' ' LEU . 44.1 t -108.66 132.6 56.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.57 0.7 . . . . 0.0 111.576 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -101.97 159.32 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -52.12 -42.32 63.2 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.997 -1.081 . . . . 0.0 109.721 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.47 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.4 tt0 -59.73 -41.38 90.78 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.689 178.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.484 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 96.6 mt-10 -68.37 -39.53 81.73 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.523 0.678 . . . . 0.0 111.107 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -63.75 -45.19 90.96 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.096 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 72' ' ' GLN . 2.5 p -60.34 -38.85 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.691 -178.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.6 m -75.57 -33.4 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 120.142 -0.623 . . . . 0.0 109.692 178.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.497 HD23 ' C ' ' A' ' 77' ' ' LEU . 9.7 tt -59.65 -42.44 92.8 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 75' ' ' VAL . 22.6 m -72.27 -31.07 37.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 C-N-CA 120.276 -0.569 . . . . 0.0 111.265 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.25 80.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.644 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.71 90.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.594 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.613 HD22 HD12 ' A' ' 37' ' ' LEU . 6.2 mp -65.52 -35.33 80.54 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.043 0.449 . . . . 0.0 110.171 178.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.671 HG23 ' CG ' ' B' ' 8' ' ' MET . 87.4 m -52.91 -36.78 60.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.559 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.2 t -58.47 -35.95 56.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.229 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.3 79.8 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.266 -0.573 . . . . 0.0 110.428 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.0 tpt -57.22 -39.5 75.59 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -59.79 -41.5 91.29 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.64 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -61.38 -44.05 97.82 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.795 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.6 -36.42 83.67 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.708 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -53.48 -39.22 64.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.947 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.54 -34.95 62.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.566 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.58 -32.71 72.82 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.579 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.22 137.12 42.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.593 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -107.39 143.12 36.15 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.119 0.485 . . . . 0.0 110.556 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.05 -36.4 77.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.427 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.52 -42.41 96.38 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.846 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.892 ' OE2' HD12 ' A' ' 41' ' ' LEU . 77.0 mm-40 -66.93 -39.41 87.34 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.597 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.4 m -61.46 -43.12 99.43 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.478 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.443 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -68.49 -38.47 81.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.657 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.671 ' CG ' HG23 ' A' ' 82' ' ' THR . 46.6 ttm -59.85 -43.31 94.72 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.315 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.84 -31.24 66.46 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.324 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.424 HG21 ' HB2' ' A' ' 7' ' ' ALA . 38.8 m -56.05 -37.61 69.49 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.289 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.83 -41.33 99.28 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 119.046 -1.062 . . . . 0.0 110.522 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.91 -44.99 96.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.103 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -60.5 -41.25 93.95 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.881 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.434 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 27.1 m -73.76 -38.65 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.445 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' B' ' 19' ' ' SER . 71.1 t80 -62.83 -49.73 73.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.511 178.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -64.07 -47.94 78.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.461 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.08 -52.5 41.24 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 120.099 -0.64 . . . . 0.0 112.04 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.47 ' CE1' ' OE2' ' B' ' 40' ' ' GLU . 77.5 m80 -62.8 -48.29 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.571 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' B' ' 15' ' ' PHE . 20.0 t -61.73 -40.13 93.99 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.02 0.438 . . . . 0.0 110.745 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.436 ' O ' ' NZ ' ' B' ' 25' ' ' LYS . . . -63.15 -37.25 94.61 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.824 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -58.75 -41.32 86.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.524 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -126.72 150.36 49.1 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.916 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.98 -163.68 53.84 Favored Glycine 0 C--N 1.333 0.4 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.73 137.65 49.87 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.436 ' NZ ' ' O ' ' B' ' 20' ' ' GLY . 65.3 mmtt -61.23 -40.66 94.86 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.078 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -69.51 -33.49 72.91 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -116.04 149.58 38.67 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -104.32 131.28 51.83 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.975 177.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.5 t -98.81 150.93 21.36 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.572 ' HZ2' ' CG ' ' B' ' 55' ' ' ASP . 59.1 tttt -55.54 -39.23 70.31 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 118.529 -1.269 . . . . 0.0 110.923 -177.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -56.56 -40.99 76.11 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 118.419 -1.312 . . . . 0.0 108.55 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.524 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.2 mt-10 -66.29 -36.75 83.77 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.366 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.662 HD22 HG21 ' B' ' 69' ' ' VAL . 16.8 tp -66.83 -50.73 61.64 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -60.46 -43.85 96.47 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.598 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.56 -37.82 85.78 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.474 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.79 -43.94 91.57 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.524 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.608 HD12 HD22 ' B' ' 81' ' ' LEU . 0.5 OUTLIER -68.18 -40.73 82.16 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.162 179.385 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.439 ' NE2' ' CB ' ' B' ' 47' ' ' ALA . 62.5 tt0 -63.23 -45.7 90.41 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.484 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 46.9 m -70.8 -43.37 68.8 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.47 ' OE2' ' CE1' ' B' ' 18' ' ' HIS . 77.3 mm-40 -74.61 -32.4 62.31 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.881 HD12 ' OE2' ' A' ' 5' ' ' GLU . 13.7 tp -97.88 140.4 32.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.095 0.474 . . . . 0.0 111.218 -177.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.588 ' O ' ' N ' ' B' ' 44' ' ' PHE . 87.8 p -54.38 -24.54 20.06 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.565 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -46.36 -9.7 0.03 OUTLIER Glycine 0 CA--C 1.522 0.516 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 178.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.588 ' N ' ' O ' ' B' ' 42' ' ' SER . 46.4 t80 -47.75 -42.14 24.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.91 -35.24 79.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.207 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.661 ' C ' ' H ' ' B' ' 48' ' ' GLN . 28.6 p30 -90.17 13.15 15.86 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.27 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.557 ' HA ' HG11 ' B' ' 51' ' ' VAL . . . -56.49 20.26 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.661 ' H ' ' C ' ' B' ' 46' ' ' ASP . 93.1 mt-30 -60.52 162.01 6.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.196 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -48.75 -18.82 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.22 -34.95 64.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.09 0.471 . . . . 0.0 110.229 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.602 ' O ' HG12 ' B' ' 54' ' ' VAL . 18.0 m -58.31 -10.95 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.317 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.657 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.7 p30 -58.6 -30.3 67.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.839 179.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.657 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.7 -27.28 62.79 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-O 121.586 0.707 . . . . 0.0 109.239 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.635 ' O ' HG22 ' B' ' 57' ' ' VAL . 6.1 p -51.74 -36.75 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.572 ' CG ' ' HZ2' ' B' ' 30' ' ' LYS . 54.8 t0 -60.72 -42.23 96.86 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.497 178.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.24 -38.12 89.92 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.508 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.635 HG22 ' O ' ' B' ' 54' ' ' VAL . 2.2 m -68.71 -29.45 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.927 -177.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 93.1 mmm -55.49 -39.38 70.37 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.827 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -62.02 -43.37 98.98 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.971 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.35 -42.34 88.22 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' B' ' 62' ' ' ASP . 0.6 OUTLIER -78.07 -37.07 47.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.316 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.491 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 63.6 t0 -87.6 110.51 20.43 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.303 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.17 -33.38 75.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.348 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -56.78 -38.95 73.23 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.84 -178.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.26 4.84 64.94 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.9 p30 -63.45 -33.8 76.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.398 -0.901 . . . . 0.0 112.925 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.654 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.63 0.33 64.68 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -178.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -109.35 152.42 25.32 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.662 HG21 HD22 ' B' ' 33' ' ' LEU . 43.9 t -108.58 132.61 56.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.438 0.637 . . . . 0.0 111.555 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -101.97 159.26 15.52 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -52.13 -42.27 63.2 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 118.988 -1.085 . . . . 0.0 109.712 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.465 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.4 tt0 -59.64 -41.45 90.5 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.748 178.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.48 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 96.7 mt-10 -68.59 -39.36 80.97 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.486 0.66 . . . . 0.0 111.016 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -63.81 -45.15 90.96 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.465 HG12 ' O ' ' B' ' 72' ' ' GLN . 2.4 p -60.35 -38.83 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.679 -178.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.455 HG22 ' O ' ' B' ' 73' ' ' GLU . 32.6 m -75.62 -33.37 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.642 178.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.488 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.7 tt -59.73 -42.4 93.05 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.435 HG22 ' O ' ' B' ' 75' ' ' VAL . 22.7 m -72.25 -31.08 37.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.293 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.29 80.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.611 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.66 90.84 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.625 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.608 HD22 HD12 ' B' ' 37' ' ' LEU . 6.2 mp -65.51 -35.33 80.56 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.075 0.464 . . . . 0.0 110.2 178.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.665 HG23 ' CG ' ' A' ' 8' ' ' MET . 86.6 m -52.93 -36.74 60.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.644 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.1 t -58.49 -35.98 57.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.151 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.33 79.95 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.437 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.16 -39.49 75.36 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -59.68 -41.62 91.09 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.694 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -61.32 -44.04 97.87 Favored 'General case' 0 N--CA 1.458 -0.051 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.785 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.68 -36.3 83.24 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.762 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -53.56 -39.17 64.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.984 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.47 -35.02 62.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.595 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.66 -32.57 72.74 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.577 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.3 137.05 42.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.593 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.557 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.467 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 54.6 p . . . . . 0 C--O 1.235 0.335 0 CA-C-O 120.954 0.407 . . . . 0.0 110.577 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.58 -36.23 78.01 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.941 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.65 -42.22 96.55 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.916 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.38 -39.17 88.92 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.95 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.4 m -62.6 -42.47 99.59 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.291 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.74 -37.71 85.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.301 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.691 ' CG ' HG23 ' B' ' 82' ' ' THR . 47.3 ttm -59.44 -42.77 92.68 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.17 0.51 . . . . 0.0 111.532 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.89 -31.16 66.47 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.24 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.0 m -55.94 -37.27 68.74 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.314 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.57 -41.47 98.95 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.401 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.0 mt -65.32 -43.6 94.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.806 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -59.48 -42.95 93.26 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.786 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -73.79 -38.28 50.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.848 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.483 ' CE1' HD22 ' A' ' 28' ' ' LEU . 66.5 t80 -62.42 -49.11 76.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.363 0.602 . . . . 0.0 110.127 179.048 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.633 ' NE2' ' CE ' ' A' ' 25' ' ' LYS . 21.4 t-80 -64.13 -49.09 73.56 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.496 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.69 -48.67 71.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.248 -0.581 . . . . 0.0 112.047 -178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -64.13 -46.73 82.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.931 -0.708 . . . . 0.0 111.074 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.482 ' O ' ' O ' ' A' ' 22' ' ' GLU . 22.8 t -60.79 -40.94 94.47 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.352 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.44 -40.43 98.82 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.117 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -60.02 -40.05 87.98 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.502 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.7 mt-10 -121.54 153.08 38.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.061 0.458 . . . . 0.0 111.912 -178.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.2 -164.5 1.46 Allowed Glycine 0 C--N 1.331 0.297 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 27' ' ' LYS . 88.7 m-20 -71.83 135.82 46.79 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.633 ' CE ' ' NE2' ' A' ' 16' ' ' HIS . 42.3 tttm -60.28 -40.59 90.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.215 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -65.98 -32.58 74.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.266 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' A' ' 24' ' ' ASP . 98.6 mttt -116.02 146.15 42.4 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.638 0.732 . . . . 0.0 112.828 -178.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.647 HD12 ' OE1' ' A' ' 32' ' ' GLU . 16.9 tp -107.3 131.15 54.53 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.458 178.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.1 m -104.57 150.62 24.47 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -57.02 -36.54 70.57 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 118.72 -1.192 . . . . 0.0 109.895 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -55.53 -40.67 72.13 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 118.947 -1.101 . . . . 0.0 108.23 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.647 ' OE1' HD12 ' A' ' 28' ' ' LEU . 96.7 mt-10 -65.92 -37.5 86.25 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.5 tp -62.69 -45.69 91.59 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.988 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -60.23 -42.4 95.16 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.508 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.65 -42.35 95.5 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.86 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.6 tp -66.72 -44.19 82.28 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.065 -0.654 . . . . 0.0 112.045 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -68.59 -42.46 78.19 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.416 -179.613 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -64.45 -40.88 96.57 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.187 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.24 -43.24 74.42 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' OE1' ' CB ' ' B' ' 2' ' ' SER . 76.9 mm-40 -75.52 -33.8 60.76 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -95.52 143.57 26.72 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.667 0.746 . . . . 0.0 112.821 -178.757 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 44' ' ' PHE . 86.6 p -58.43 -24.42 60.14 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 177.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.568 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -45.6 -11.21 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.958 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' N ' ' O ' ' A' ' 42' ' ' SER . 56.7 t80 -46.4 -38.88 9.57 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.346 -0.941 . . . . 0.0 109.078 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.515 ' N ' HD22 ' A' ' 45' ' ' LEU . 2.9 mm? -59.83 -31.93 70.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.516 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.568 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 27.3 p30 -82.27 15.77 2.29 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.064 0.459 . . . . 0.0 110.032 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -53.92 -21.61 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.54 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.515 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.6 mt-30 -51.69 -157.84 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.236 0.541 . . . . 0.0 111.686 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -55.5 -23.6 26.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.541 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -51.92 -34.45 41.64 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.661 ' O ' HG12 ' A' ' 54' ' ' VAL . 42.6 t -51.82 -38.4 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.237 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -53.39 -34.52 58.0 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.914 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.96 -28.38 62.2 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.058 0.456 . . . . 0.0 110.16 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.8 p -54.0 -35.97 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -63.22 -42.1 99.22 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.718 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -63.67 -42.9 97.99 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.923 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.7 m -75.49 -30.48 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.331 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.3 ttt -55.95 -44.02 78.04 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-O 121.504 0.669 . . . . 0.0 110.136 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 62' ' ' ASP . 49.8 mtmt -61.85 -38.51 88.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.524 179.37 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.3 -42.46 99.38 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.884 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.89 -39.91 83.6 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.026 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.608 ' OD2' ' N ' ' A' ' 65' ' ' GLY . 21.3 t70 -94.52 121.36 36.0 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -178.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.77 -31.73 72.88 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.697 176.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.584 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 4.4 p30 -86.97 3.13 47.06 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.608 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 93.24 -3.56 72.86 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.545 ' OD1' ' OE1' ' A' ' 73' ' ' GLU . 1.8 t0 55.85 41.22 30.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 178.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.65 -37.32 60.92 Favored Glycine 0 C--N 1.312 -0.756 0 C-N-CA 117.333 -2.365 . . . . 0.0 107.928 177.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -121.89 144.74 48.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.7 t -110.58 133.27 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 120.04 -0.664 . . . . 0.0 111.651 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -103.19 157.36 17.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.274 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -53.71 -41.18 66.7 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.379 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.475 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.6 tt0 -57.08 -40.54 77.13 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.041 179.269 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.545 ' OE1' ' OD1' ' A' ' 66' ' ' ASP . 97.4 mt-10 -67.45 -38.36 84.35 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.235 178.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -63.17 -45.23 92.79 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.517 HG13 ' HB1' ' B' ' 79' ' ' ALA . 3.5 p -60.41 -39.23 80.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.064 -178.196 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 73' ' ' GLU . 28.4 m -76.27 -33.65 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.087 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 77' ' ' LEU . 9.3 tt -61.59 -41.04 96.85 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.977 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 75' ' ' VAL . 22.1 m -72.0 -31.96 42.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-O 121.379 0.609 . . . . 0.0 110.657 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.522 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -61.17 -35.39 76.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.913 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.67 -44.3 94.18 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.385 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.546 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.6 mp -65.63 -36.57 84.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.082 0.468 . . . . 0.0 110.055 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.678 HG23 ' CG ' ' B' ' 8' ' ' MET . 60.5 m -53.32 -37.11 61.98 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.555 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.8 t -58.81 -35.46 56.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.294 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.51 77.84 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.498 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpt -58.64 -42.09 87.52 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -59.81 -40.6 88.96 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.129 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -59.69 -41.1 89.94 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.148 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.18 -46.12 90.35 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -57.39 -34.47 68.9 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.492 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.455 ' O ' ' OXT' ' A' ' 93' ' ' SER . 71.6 t-105 -54.73 -33.63 61.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.88 -33.45 66.89 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.541 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -55.5 -34.51 64.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.558 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.455 ' OXT' ' O ' ' A' ' 90' ' ' TRP . 28.9 p . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.576 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.469 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 54.6 p -69.79 162.23 28.26 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.946 0.403 . . . . 0.0 110.547 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.61 -36.2 78.01 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.97 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 38.6 tp -60.65 -42.21 96.54 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.914 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.35 -39.18 89.01 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 120.163 -0.615 . . . . 0.0 109.94 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.4 m -62.63 -42.5 99.63 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.301 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.71 -37.76 85.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.283 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.678 ' CG ' HG23 ' A' ' 82' ' ' THR . 47.2 ttm -59.34 -42.76 92.23 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.178 0.513 . . . . 0.0 111.567 -178.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.96 -31.19 66.62 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.189 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.4 m -55.84 -37.32 68.56 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.324 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.5 mt -62.6 -41.38 98.94 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.452 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.32 -43.58 94.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.862 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -59.56 -42.97 93.62 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.773 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -73.73 -38.3 50.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.833 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.478 ' CE1' HD22 ' B' ' 28' ' ' LEU . 66.3 t80 -62.37 -49.11 76.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.325 0.583 . . . . 0.0 110.123 179.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.633 ' NE2' ' CE ' ' B' ' 25' ' ' LYS . 21.5 t-80 -64.07 -49.17 73.35 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.484 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -48.68 71.25 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.262 -0.575 . . . . 0.0 112.006 -178.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -64.17 -46.72 82.75 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.055 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.486 ' O ' ' O ' ' B' ' 22' ' ' GLU . 22.9 t -60.82 -40.9 94.48 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.381 -179.307 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.44 -40.44 98.82 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 121.228 -0.511 . . . . 0.0 112.091 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -59.97 -40.16 88.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.512 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.7 mt-10 -121.4 153.09 38.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 111.977 -178.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.26 -164.58 1.48 Allowed Glycine 0 CA--C 1.519 0.336 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' B' ' 27' ' ' LYS . 88.5 m-20 -71.75 135.8 46.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.633 ' CE ' ' NE2' ' B' ' 16' ' ' HIS . 42.3 tttm -60.17 -40.79 91.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -65.88 -32.55 74.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.263 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' B' ' 24' ' ' ASP . 98.6 mttt -115.99 146.14 42.38 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.62 0.724 . . . . 0.0 112.81 -178.297 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.659 HD12 ' OE1' ' B' ' 32' ' ' GLU . 17.0 tp -107.32 131.14 54.56 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 114.946 -1.025 . . . . 0.0 108.479 178.011 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m -104.55 150.68 24.42 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -57.08 -36.49 70.64 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 118.697 -1.201 . . . . 0.0 109.9 -178.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -55.55 -40.71 72.26 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 118.904 -1.119 . . . . 0.0 108.16 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.659 ' OE1' HD12 ' B' ' 28' ' ' LEU . 96.7 mt-10 -65.85 -37.5 86.35 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 23.5 tp -62.57 -45.72 91.64 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.092 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -60.29 -42.38 95.36 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.513 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.65 -42.36 95.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.888 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 38.5 tp -66.72 -44.24 82.13 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.016 -0.674 . . . . 0.0 112.063 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.6 OUTLIER -68.48 -42.59 78.45 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.39 -179.592 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -64.26 -40.92 96.98 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.096 -1.042 . . . . 0.0 111.298 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.6 m -69.23 -43.3 74.31 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' A' ' 2' ' ' SER . 76.9 mm-40 -75.38 -33.88 61.05 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.612 ' CD2' ' N ' ' B' ' 41' ' ' LEU . 0.4 OUTLIER -95.37 143.66 26.55 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.673 0.749 . . . . 0.0 112.823 -178.807 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.569 ' O ' ' N ' ' B' ' 44' ' ' PHE . 86.8 p -58.56 -24.41 60.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.575 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -45.65 -11.12 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 114.25 -1.341 . . . . 0.0 109.912 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.569 ' N ' ' O ' ' B' ' 42' ' ' SER . 56.9 t80 -46.54 -38.86 10.0 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.95 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.498 HD22 ' N ' ' B' ' 45' ' ' LEU . 2.8 mm? -59.79 -32.01 70.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.511 178.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.575 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 27.4 p30 -82.27 15.86 2.26 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.079 0.466 . . . . 0.0 110.006 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -53.98 -21.48 8.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.587 -178.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.515 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.7 mt-30 -51.77 -157.87 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.206 0.527 . . . . 0.0 111.702 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -55.43 -23.59 25.98 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.523 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -52.02 -34.39 42.79 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.667 ' O ' HG12 ' B' ' 54' ' ' VAL . 42.9 t -51.83 -38.38 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.295 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.46 -34.47 58.02 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.946 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -28.33 62.1 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.175 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.667 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.8 p -54.05 -35.91 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -63.13 -42.13 99.44 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.782 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -63.68 -42.87 97.98 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.947 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.7 m -75.45 -30.45 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.409 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.3 ttt -55.92 -44.06 77.95 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.625 0.726 . . . . 0.0 110.151 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' B' ' 62' ' ' ASP . 49.7 mtmt -61.93 -38.56 88.89 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.438 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.17 -42.56 99.39 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.903 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.8 -39.93 83.97 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.988 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.602 ' OD2' ' N ' ' B' ' 65' ' ' GLY . 21.2 t70 -94.59 121.35 36.06 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.71 -31.79 72.98 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.688 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.582 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 4.4 p30 -86.94 3.02 47.41 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -177.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.602 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 93.32 -3.74 72.83 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.527 ' OD1' ' OE1' ' B' ' 73' ' ' GLU . 1.8 t0 55.99 41.11 30.17 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.62 -37.35 60.85 Favored Glycine 0 C--N 1.311 -0.812 0 C-N-CA 117.355 -2.355 . . . . 0.0 107.878 177.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -121.86 144.8 48.63 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.7 t -110.62 133.37 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.612 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -103.24 157.46 17.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.211 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -53.81 -41.22 67.1 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.33 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.465 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.6 tt0 -56.9 -40.7 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.117 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.527 ' OE1' ' OD1' ' B' ' 66' ' ' ASP . 97.4 mt-10 -67.39 -38.39 84.61 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.15 178.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -63.26 -45.11 93.03 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.522 HG13 ' HB1' ' A' ' 79' ' ' ALA . 3.4 p -60.59 -39.14 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 119.88 -0.728 . . . . 0.0 111.04 -178.165 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 73' ' ' GLU . 28.5 m -76.23 -33.72 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.086 178.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.414 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.3 tt -61.56 -41.03 96.79 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.01 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.414 HG22 ' O ' ' B' ' 75' ' ' VAL . 22.1 m -72.03 -31.91 41.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.408 0.623 . . . . 0.0 110.701 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.517 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -61.25 -35.26 76.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.984 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.27 93.92 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.327 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.533 ' H ' HD12 ' B' ' 81' ' ' LEU . 6.6 mp -65.7 -36.52 83.85 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.071 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.691 HG23 ' CG ' ' A' ' 8' ' ' MET . 60.3 m -53.23 -37.16 61.81 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.67 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.0 t -58.8 -35.53 56.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.293 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.43 77.57 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.561 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpt -58.65 -42.14 87.67 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -59.79 -40.56 88.73 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.166 177.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -59.69 -41.05 89.86 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.179 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.23 -46.03 90.69 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -57.43 -34.52 69.03 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.53 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.456 ' O ' ' OXT' ' B' ' 93' ' ' SER . 71.6 t-105 -54.73 -33.74 61.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.74 -33.43 66.55 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -55.57 -34.5 64.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' SER . . . . . 0.456 ' OXT' ' O ' ' B' ' 90' ' ' TRP . 29.5 p . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.647 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.71 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -69.68 163.07 26.44 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.116 0.484 . . . . 0.0 110.75 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.98 -35.69 75.56 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.408 HD23 ' C ' ' A' ' 4' ' ' LEU . 9.5 tt -61.27 -41.23 96.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.568 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.87 -39.26 90.55 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.038 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.6 m -61.59 -42.92 99.55 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.215 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -67.14 -36.42 81.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.475 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.682 ' CG ' HG23 ' B' ' 82' ' ' THR . 46.1 ttm -59.84 -43.39 94.63 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.876 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.69 -32.4 67.31 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.314 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.8 m -57.36 -36.37 71.12 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.69 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 mt -61.85 -42.14 98.69 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.231 -0.988 . . . . 0.0 111.394 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.9 mt -65.96 -45.94 89.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.124 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -60.31 -43.25 96.52 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.627 -0.429 . . . . 0.0 112.114 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 15' ' ' PHE . 18.0 m -72.57 -40.3 62.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.575 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.418 ' N ' HG23 ' A' ' 14' ' ' VAL . 67.1 t80 -61.76 -47.06 86.88 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.945 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.35 -46.8 84.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.324 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.89 -52.74 47.51 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.114 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.517 ' CG ' HD13 ' A' ' 36' ' ' LEU . 53.3 m80 -62.71 -45.65 91.75 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.659 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 t -60.55 -40.51 91.83 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.041 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.45 -37.16 94.09 Favored Glycine 0 CA--C 1.524 0.628 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.554 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.81 -41.86 87.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.507 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -128.85 145.25 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.551 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.16 -164.32 54.91 Favored Glycine 0 C--N 1.331 0.288 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.86 137.57 47.61 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -61.59 -38.98 89.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 110.91 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -66.5 -34.69 78.49 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.53 147.72 48.21 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 tp -106.51 124.86 50.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.768 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -83.82 159.72 21.34 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.174 -0.61 . . . . 0.0 109.615 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -58.37 -39.17 78.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 119.634 -0.827 . . . . 0.0 110.138 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -58.03 -42.42 85.27 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.835 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.507 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 97.9 mt-10 -66.51 -38.79 87.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.917 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.409 HD21 HD13 ' A' ' 77' ' ' LEU . 32.8 tp -64.78 -43.89 91.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.823 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -60.29 -46.0 91.37 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.004 0.43 . . . . 0.0 110.93 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.05 -39.91 93.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.726 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.517 HD13 ' CG ' ' A' ' 18' ' ' HIS . 48.4 tp -61.34 -51.86 67.05 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.356 -0.538 . . . . 0.0 112.285 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.9 -37.64 72.97 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.082 -0.647 . . . . 0.0 112.512 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.455 ' NE2' ' HB1' ' A' ' 47' ' ' ALA . 63.2 tt0 -61.73 -46.24 90.5 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 118.923 -1.111 . . . . 0.0 111.122 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.2 m -75.76 -48.45 21.72 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -76.68 -33.19 58.26 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.972 HD23 ' H ' ' A' ' 43' ' ' GLY . 5.1 tt -96.98 143.31 27.96 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.332 0.587 . . . . 0.0 110.604 -177.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.584 ' O ' ' N ' ' A' ' 44' ' ' PHE . 25.6 t -49.2 -24.81 1.9 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.721 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.972 ' H ' HD23 ' A' ' 41' ' ' LEU . . . -44.41 -11.59 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.584 ' N ' ' O ' ' A' ' 42' ' ' SER . 65.8 t80 -49.29 -40.83 36.21 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.94 -35.76 71.57 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' GLY . 88.8 m-20 -80.42 9.4 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.359 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.517 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -58.09 -24.92 60.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.519 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.64 ' O ' HG12 ' A' ' 51' ' ' VAL . 93.8 mt-30 -53.22 -157.4 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -57.04 -27.63 61.83 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.508 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.77 -34.6 62.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.125 0.488 . . . . 0.0 109.743 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 48' ' ' GLN . 5.3 p -52.93 -29.73 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.933 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.31 -35.37 62.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.68 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.63 -27.83 59.23 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.078 0.466 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.9 p -52.61 -37.74 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.17 -41.45 97.12 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 119.624 -0.83 . . . . 0.0 110.159 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.95 -40.3 97.27 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.5 m -71.61 -31.67 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 119.779 -0.768 . . . . 0.0 112.023 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.4 mmm -58.35 -37.32 74.94 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.786 -0.365 . . . . 0.0 111.693 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.27 -44.42 95.35 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.873 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.63 -40.5 84.63 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.882 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.45 -36.62 81.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.765 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.529 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 42.7 t0 -85.93 105.42 16.39 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.529 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.16 -37.43 83.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.52 0.676 . . . . 0.0 109.376 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -58.84 -37.49 76.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.191 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.62 6.89 88.86 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 107.994 -2.042 . . . . 0.0 107.994 -177.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.2 p30 -63.13 -33.78 76.2 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 114.218 -0.991 . . . . 0.0 112.942 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.46 -3.98 66.39 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.496 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 95.7 mt-10 -111.23 154.09 24.92 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.8 m -124.37 149.69 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-O 122.18 0.99 . . . . 0.0 112.862 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -106.86 166.49 10.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 113.55 -1.659 . . . . 0.0 108.351 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -51.34 -41.49 60.63 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.784 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.481 ' O ' HG12 ' A' ' 75' ' ' VAL . 51.3 tt0 -59.63 -42.7 93.31 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.574 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.457 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.7 mt-10 -68.68 -38.15 80.12 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.465 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -62.21 -44.89 95.56 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.394 -0.821 . . . . 0.0 113.16 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.6 p -60.5 -39.26 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 119.846 -0.741 . . . . 0.0 111.126 -178.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 73' ' ' GLU . 30.4 m -75.73 -33.47 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.838 178.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.409 HD13 HD21 ' A' ' 33' ' ' LEU . 9.5 tt -60.89 -42.45 98.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.7 m -73.52 -32.34 35.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.833 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.33 87.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.066 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.19 95.43 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.912 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.35 -36.04 82.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.432 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.683 HG23 ' CG ' ' B' ' 8' ' ' MET . 68.7 m -52.84 -38.35 61.33 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.818 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 80.1 t -60.24 -35.51 62.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.25 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.89 -38.92 90.13 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.887 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.403 ' HE1' HD12 ' B' ' 12' ' ' ILE . 10.2 ttp -59.74 -38.91 83.05 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 119.627 -0.829 . . . . 0.0 108.825 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -58.33 -41.87 85.55 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.258 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -60.81 -41.63 96.07 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.487 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.65 -41.03 94.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.413 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -52.96 -39.06 62.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.015 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.32 -35.62 62.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.473 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.98 -33.07 73.64 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.547 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.569 ' O ' ' CB ' ' A' ' 93' ' ' SER . 26.9 t30 -102.0 128.38 48.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.431 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.711 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.592 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -69.72 163.08 26.48 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.128 0.489 . . . . 0.0 110.705 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.91 -35.7 75.44 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.416 ' C ' HD23 ' B' ' 4' ' ' LEU . 9.6 tt -61.36 -41.13 96.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.197 -0.601 . . . . 0.0 109.603 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.87 -39.27 90.54 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.071 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.4 m -61.6 -42.94 99.59 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.215 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -67.09 -36.43 81.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.509 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.683 ' CG ' HG23 ' A' ' 82' ' ' THR . 46.1 ttm -59.8 -43.41 94.48 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.852 -178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.71 -32.41 67.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.325 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.8 m -57.32 -36.34 70.99 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.678 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.0 mt -61.97 -42.03 98.67 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 119.241 -0.983 . . . . 0.0 111.434 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.403 HD12 ' HE1' ' A' ' 85' ' ' MET . 74.0 mt -66.01 -45.94 89.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.123 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -60.28 -43.27 96.37 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.553 -0.459 . . . . 0.0 112.057 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.422 HG23 ' N ' ' B' ' 15' ' ' PHE . 18.0 m -72.62 -40.26 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.563 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.422 ' N ' HG23 ' B' ' 14' ' ' VAL . 67.1 t80 -61.76 -47.15 86.49 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.973 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.29 -46.72 85.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.348 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.94 -52.65 47.85 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.166 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.519 ' CG ' HD13 ' B' ' 36' ' ' LEU . 53.3 m80 -62.76 -45.73 91.35 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.62 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.7 t -60.43 -40.63 91.78 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.379 -0.529 . . . . 0.0 110.022 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.38 -37.22 94.19 Favored Glycine 0 CA--C 1.523 0.588 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.561 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.81 -41.78 87.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.499 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -128.85 145.26 51.25 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.573 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.19 -164.42 54.91 Favored Glycine 0 CA--C 1.518 0.251 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -71.83 137.63 47.69 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -61.61 -38.89 89.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.103 0.478 . . . . 0.0 110.905 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -66.62 -34.74 78.55 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -124.48 147.83 48.09 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 tp -106.58 124.77 50.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.55 -1.204 . . . . 0.0 108.851 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.7 p -83.68 159.73 21.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.643 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -58.43 -39.06 78.76 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.559 -0.857 . . . . 0.0 110.171 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -58.11 -42.44 85.75 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.951 -0.699 . . . . 0.0 109.758 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.499 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 97.9 mt-10 -66.47 -38.83 88.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.863 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.408 HD21 HD13 ' B' ' 77' ' ' LEU . 32.8 tp -64.81 -43.83 91.86 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.855 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -60.34 -45.99 91.51 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-O 120.994 0.426 . . . . 0.0 110.9 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.17 -39.77 93.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.754 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.519 HD13 ' CG ' ' B' ' 18' ' ' HIS . 48.3 tp -61.31 -51.87 67.06 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.368 -0.533 . . . . 0.0 112.277 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 42.9 mt -70.97 -37.67 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.02 -0.672 . . . . 0.0 112.392 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -61.67 -46.3 90.33 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 118.869 -1.132 . . . . 0.0 111.094 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.4 m -75.69 -48.5 21.72 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -76.63 -33.14 58.37 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.998 HD23 ' H ' ' B' ' 43' ' ' GLY . 5.1 tt -97.12 143.38 27.99 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.398 0.618 . . . . 0.0 110.549 -177.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.599 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.1 t -49.1 -24.84 1.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.717 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.998 ' H ' HD23 ' B' ' 41' ' ' LEU . . . -44.38 -11.63 0.02 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.599 ' N ' ' O ' ' B' ' 42' ' ' SER . 65.8 t80 -49.33 -40.85 36.72 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 28.8 tp -57.94 -35.83 71.67 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' B' ' 43' ' ' GLY . 88.7 m-20 -80.23 9.26 5.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.509 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -58.09 -24.88 60.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.545 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.653 ' O ' HG12 ' B' ' 51' ' ' VAL . 93.8 mt-30 -53.18 -157.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -57.0 -27.63 61.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.441 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -54.82 -34.57 62.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.119 0.485 . . . . 0.0 109.734 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.653 HG12 ' O ' ' B' ' 48' ' ' GLN . 5.3 p -52.89 -29.7 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.934 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.33 -35.42 62.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.783 0.325 . . . . 0.0 110.654 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.66 -27.84 59.48 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.044 0.449 . . . . 0.0 109.95 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.629 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.9 p -52.64 -37.71 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -64.23 -41.38 97.03 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.113 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.97 -40.32 97.35 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.4 HG22 ' O ' ' B' ' 54' ' ' VAL . 10.4 m -71.57 -31.66 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 119.778 -0.769 . . . . 0.0 112.028 -178.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.4 mmm -58.36 -37.3 74.92 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.793 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.37 -44.3 95.73 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.842 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.67 -40.57 84.44 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.83 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 76.9 mt -67.42 -36.6 81.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.856 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.535 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 42.7 t0 -86.0 105.45 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.575 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.16 -37.32 83.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.468 0.651 . . . . 0.0 109.441 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -58.84 -37.54 76.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.072 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.49 7.03 88.78 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 108.015 -2.034 . . . . 0.0 108.015 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.2 p30 -63.1 -33.88 76.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 114.174 -1.013 . . . . 0.0 112.979 -179.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.6 -4.02 66.08 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.5 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 95.7 mt-10 -111.24 154.17 24.82 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 32.5 m -124.46 149.77 28.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 122.075 0.941 . . . . 0.0 112.786 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -106.98 166.56 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.276 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -51.24 -41.61 60.46 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.436 -0.906 . . . . 0.0 109.769 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.479 ' O ' HG12 ' B' ' 75' ' ' VAL . 51.2 tt0 -59.66 -42.71 93.45 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.482 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.457 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.7 mt-10 -68.72 -38.09 79.97 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 119.609 -0.837 . . . . 0.0 110.422 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -62.22 -44.84 95.66 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.479 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.6 p -60.51 -39.38 81.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.052 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 73' ' ' GLU . 30.1 m -75.63 -33.51 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.755 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.408 HD13 HD21 ' B' ' 33' ' ' LEU . 9.4 tt -60.9 -42.43 98.01 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.047 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.9 m -73.57 -32.32 35.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.752 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.45 87.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.022 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.71 -42.0 95.59 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.99 -0.684 . . . . 0.0 109.967 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 mt -64.4 -36.02 82.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.412 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.682 HG23 ' CG ' ' A' ' 8' ' ' MET . 71.0 m -52.91 -38.34 61.7 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.827 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 78.6 t -60.22 -35.52 62.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.259 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.9 90.11 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.926 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 10.2 ttp -59.73 -38.85 82.82 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.573 -0.851 . . . . 0.0 108.854 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -58.48 -41.67 85.8 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.278 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -60.96 -41.59 96.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.7 -40.99 94.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.327 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -53.03 -39.01 62.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.947 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.38 -35.61 63.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.437 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.04 -32.93 73.49 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.573 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' B' ' 93' ' ' SER . 26.9 t30 -102.16 128.38 48.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.418 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.748 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 m -63.02 153.91 32.39 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 120.977 0.418 . . . . 0.0 110.619 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.16 -35.86 78.24 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.9 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.66 -42.76 93.58 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.5 -41.36 93.29 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.569 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -61.55 -42.68 99.19 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.785 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.518 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -67.53 -40.01 85.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.709 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.691 ' CG ' HG23 ' B' ' 82' ' ' THR . 47.4 ttm -60.71 -44.77 96.17 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.1 -32.13 67.8 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.318 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.517 HG21 ' HB2' ' B' ' 7' ' ' ALA . 39.6 m -56.97 -37.07 71.08 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.22 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.1 -41.72 99.44 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.175 -1.01 . . . . 0.0 110.728 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.36 -44.47 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.015 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -60.73 -41.44 95.35 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.849 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.421 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 25.4 m -73.19 -39.28 56.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 C-N-CA 119.735 -0.786 . . . . 0.0 110.307 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -61.19 -47.93 83.89 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.001 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.9 -46.63 86.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.178 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.78 -49.1 69.55 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 120.099 -0.64 . . . . 0.0 112.022 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.578 ' CD2' ' OE2' ' A' ' 40' ' ' GLU . 85.3 m-70 -63.23 -49.03 75.79 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.632 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.539 ' OG ' HD13 ' A' ' 28' ' ' LEU . 19.4 m -62.32 -39.99 94.88 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.058 0.456 . . . . 0.0 111.18 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.21 -35.51 92.17 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-N 115.48 -0.782 . . . . 0.0 113.301 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -58.3 -40.93 83.31 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -127.44 152.45 47.52 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.923 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.97 -160.42 26.22 Favored Glycine 0 CA--C 1.521 0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.696 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.16 138.36 47.61 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.91 -38.29 85.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.287 0.565 . . . . 0.0 110.469 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -66.82 -32.7 74.15 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -114.99 146.22 41.45 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.733 HD12 ' OE1' ' A' ' 32' ' ' GLU . 12.9 tp -105.24 131.54 52.57 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.33 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.1 t -103.03 148.89 25.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.589 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 38.4 tttt -55.48 -36.92 67.13 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 118.863 -1.135 . . . . 0.0 109.97 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -55.41 -40.72 71.81 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.733 ' OE1' HD12 ' A' ' 28' ' ' LEU . 97.6 mt-10 -66.1 -37.22 85.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 177.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.5 tp -63.34 -46.73 85.28 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.692 -178.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.504 ' CE ' ' NZ ' ' A' ' 30' ' ' LYS . 97.9 mttt -59.7 -44.06 93.84 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 118.055 -1.458 . . . . 0.0 110.341 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.83 -37.21 85.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.433 HD21 ' OE1' ' A' ' 40' ' ' GLU . 8.5 tt -63.7 -44.34 93.96 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -69.69 -42.54 73.98 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.705 179.169 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.82 -43.34 96.52 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 119.395 -0.922 . . . . 0.0 111.908 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.0 m -71.56 -44.18 65.01 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.578 ' OE2' ' CD2' ' A' ' 18' ' ' HIS . 96.4 mt-10 -75.72 -33.21 60.28 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -177.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.642 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.9 tp -101.1 126.71 47.81 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 119.587 -0.845 . . . . 0.0 112.447 -176.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.51 ' C ' ' N ' ' A' ' 44' ' ' PHE . 86.5 p -60.44 -26.64 66.88 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.36 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.642 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -47.98 -13.41 0.2 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.51 ' N ' ' C ' ' A' ' 42' ' ' SER . 88.3 t80 -50.67 -40.15 52.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.278 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.2 tp -57.61 -41.42 81.25 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.187 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -107.6 4.78 26.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 43' ' ' GLY . . . -64.06 -29.25 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.851 ' O ' HG22 ' A' ' 51' ' ' VAL . 93.1 mt-30 -7.58 -98.05 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 41.6 pttt -57.76 -35.23 70.47 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -54.75 -29.44 53.86 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.102 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.851 HG22 ' O ' ' A' ' 48' ' ' GLN . 13.8 m -54.33 -34.9 28.92 Favored 'Isoleucine or valine' 0 C--N 1.337 0.034 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.37 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.9 p30 -59.79 -33.18 71.37 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.445 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.669 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -56.85 -27.14 59.86 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.77 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.0 t -55.41 -40.3 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.0 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.589 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 89.5 m-20 -63.31 -42.6 99.03 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 119.411 -0.916 . . . . 0.0 111.144 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.91 -41.28 97.72 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.3 m -73.56 -34.17 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.26 -38.46 76.97 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.609 -0.837 . . . . 0.0 111.72 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.63 -44.9 96.12 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.915 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -68.21 -43.5 77.88 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.02 -37.57 84.4 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.528 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 45.9 t0 -87.93 104.94 17.1 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.466 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -68.44 -35.51 77.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.503 0.668 . . . . 0.0 109.615 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -59.17 -38.82 80.71 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.103 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.3 6.99 88.96 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 107.94 -2.064 . . . . 0.0 107.94 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.661 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 46.8 p30 -63.13 -33.84 76.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.234 -0.983 . . . . 0.0 113.052 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.661 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.75 -5.44 66.74 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.513 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 96.0 mt-10 -112.19 154.37 25.65 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.4 m -124.6 150.27 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.92 0.867 . . . . 0.0 112.435 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -104.62 163.73 12.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 113.884 -1.507 . . . . 0.0 108.585 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -51.53 -40.95 60.62 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.754 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.482 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.0 tt0 -58.85 -41.76 87.74 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.149 -0.62 . . . . 0.0 111.161 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.3 mt-10 -68.61 -39.06 81.0 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.356 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -63.06 -44.61 95.34 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 72' ' ' GLN . 4.0 p -59.44 -39.24 78.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.616 -178.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 73' ' ' GLU . 34.2 m -75.22 -32.94 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 119.797 -0.761 . . . . 0.0 109.536 177.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.453 HD23 ' C ' ' A' ' 77' ' ' LEU . 10.0 tt -59.19 -42.76 91.64 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.812 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 75' ' ' VAL . 22.2 m -73.7 -32.11 34.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.239 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.17 85.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.333 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.31 95.65 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.049 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 mt -64.62 -35.76 82.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.488 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.68 HG23 ' CG ' ' B' ' 8' ' ' MET . 56.6 m -52.9 -37.3 60.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.695 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.2 t -58.96 -35.78 58.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.277 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.72 -37.16 80.81 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.673 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -59.29 -38.63 80.66 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.606 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -58.09 -44.28 87.55 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.124 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -63.04 -41.21 99.44 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.208 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.598 ' CZ ' ' OE2' ' A' ' 91' ' ' GLU . 67.7 t80 -60.74 -43.8 97.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.725 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -54.29 -36.92 64.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.376 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -52.48 -31.21 33.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.339 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.598 ' OE2' ' CZ ' ' A' ' 88' ' ' PHE . 15.9 pt-20 -58.76 -29.15 66.55 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.37 -178.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -56.07 -34.5 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.516 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.581 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.5 m -63.06 154.01 32.19 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.941 0.401 . . . . 0.0 110.642 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.24 -35.8 78.23 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.929 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.7 -42.66 93.5 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.63 -41.3 92.83 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.439 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -61.6 -42.73 99.28 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.719 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.517 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -67.55 -40.03 84.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.661 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.68 ' CG ' HG23 ' A' ' 82' ' ' THR . 47.4 ttm -60.7 -44.68 96.26 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.26 -32.1 68.05 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.287 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.518 HG21 ' HB2' ' A' ' 7' ' ' ALA . 39.0 m -56.91 -37.15 71.03 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.211 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.13 -41.71 99.36 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.164 -1.014 . . . . 0.0 110.735 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.19 -44.58 95.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.047 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.76 -41.35 95.27 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.847 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.423 ' O ' ' CD2' ' B' ' 18' ' ' HIS . 25.2 m -73.18 -39.38 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.323 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -61.13 -47.84 84.37 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.069 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.02 -46.59 86.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.169 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.86 -48.96 69.82 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.975 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.578 ' CD2' ' OE2' ' B' ' 40' ' ' GLU . 85.5 m-70 -63.33 -49.06 75.43 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.601 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.534 ' OG ' HD13 ' B' ' 28' ' ' LEU . 19.3 m -62.24 -40.05 94.89 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.228 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.15 -35.57 92.26 Favored Glycine 0 CA--C 1.524 0.651 0 CA-C-N 115.392 -0.822 . . . . 0.0 113.252 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -58.3 -40.99 83.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -127.33 152.39 47.53 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.948 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.03 -160.39 26.56 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -72.21 138.4 47.52 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.91 -38.2 84.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.212 0.53 . . . . 0.0 110.518 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -66.92 -32.71 74.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -178.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -114.92 146.05 41.56 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.734 HD12 ' OE1' ' B' ' 32' ' ' GLU . 12.9 tp -105.1 131.45 52.58 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.347 178.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.3 t -102.98 148.86 25.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.587 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 38.5 tttt -55.41 -36.89 66.93 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 118.906 -1.118 . . . . 0.0 109.978 -178.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -55.48 -40.64 71.95 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.734 ' OE1' HD12 ' B' ' 28' ' ' LEU . 97.6 mt-10 -66.18 -37.14 84.91 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.37 -46.65 85.53 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.68 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.498 ' CE ' ' NZ ' ' B' ' 30' ' ' LYS . 98.0 mttt -59.73 -44.11 93.89 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 118.092 -1.443 . . . . 0.0 110.297 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -65.82 -37.25 85.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.021 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.426 HD21 ' OE1' ' B' ' 40' ' ' GLU . 8.5 tt -63.7 -44.32 94.0 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -69.72 -42.59 73.8 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.687 179.193 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.78 -43.36 96.6 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.886 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -71.51 -44.23 65.02 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.578 ' OE2' ' CD2' ' B' ' 18' ' ' HIS . 96.3 mt-10 -75.66 -33.27 60.42 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -177.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.634 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.8 tp -101.03 126.71 47.73 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 119.612 -0.835 . . . . 0.0 112.478 -176.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.513 ' C ' ' H ' ' B' ' 44' ' ' PHE . 86.9 p -60.45 -26.72 66.96 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.344 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.634 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -47.92 -13.39 0.19 Allowed Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.513 ' H ' ' C ' ' B' ' 42' ' ' SER . 88.5 t80 -50.69 -40.1 53.02 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 120.641 -0.423 . . . . 0.0 111.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.7 -41.42 81.64 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.133 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -107.6 4.95 26.47 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' B' ' 43' ' ' GLY . . . -64.15 -29.18 70.31 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -178.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.867 ' O ' HG22 ' B' ' 51' ' ' VAL . 93.2 mt-30 -7.64 -97.99 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 41.6 pttt -57.79 -35.28 70.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.75 -29.4 53.77 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.056 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.867 HG22 ' O ' ' B' ' 48' ' ' GLN . 13.9 m -54.37 -34.86 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.379 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 52.0 p30 -59.8 -33.17 71.38 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.457 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.669 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.01 -26.96 61.16 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.747 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -55.42 -40.37 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.014 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.587 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 89.3 m-20 -63.34 -42.51 98.95 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 119.465 -0.894 . . . . 0.0 111.156 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.96 -41.35 97.6 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 16.2 m -73.59 -34.05 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.36 -38.38 77.13 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.746 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.71 -44.82 96.19 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.945 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -68.25 -43.52 77.68 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.0 -37.59 84.47 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.541 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 45.8 t0 -87.88 104.98 17.11 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.835 -0.746 . . . . 0.0 111.486 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 60.8 mp0 -68.51 -35.5 77.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.452 0.644 . . . . 0.0 109.604 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -59.19 -38.77 80.65 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.117 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.26 6.97 88.96 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.659 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.0 p30 -63.16 -33.74 76.13 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 114.125 -1.038 . . . . 0.0 113.076 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.659 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.75 -5.42 66.73 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.502 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 96.0 mt-10 -112.2 154.4 25.61 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 19.5 m -124.61 150.25 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.965 0.888 . . . . 0.0 112.373 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -104.64 163.72 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 113.892 -1.504 . . . . 0.0 108.525 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -51.51 -41.08 60.75 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.666 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.481 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.0 tt0 -58.74 -41.69 87.07 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.221 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.451 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.4 mt-10 -68.73 -39.01 80.59 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 119.596 -0.841 . . . . 0.0 110.394 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -63.13 -44.63 95.04 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.481 HG12 ' O ' ' B' ' 72' ' ' GLN . 4.0 p -59.5 -39.17 78.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.644 -178.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.451 HG22 ' O ' ' B' ' 73' ' ' GLU . 34.3 m -75.19 -32.99 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.456 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.454 HD23 ' C ' ' B' ' 77' ' ' LEU . 10.0 tt -59.25 -42.77 91.89 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.796 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.403 HG22 ' O ' ' B' ' 75' ' ' VAL . 21.9 m -73.55 -32.25 35.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 121.252 0.548 . . . . 0.0 111.228 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.12 85.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.389 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.32 95.58 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.976 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.2 mt -64.67 -35.76 82.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.324 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.691 HG23 ' CG ' ' A' ' 8' ' ' MET . 56.7 m -52.95 -37.16 60.77 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.727 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.14 -35.65 58.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.291 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.67 -37.18 80.74 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.749 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -59.38 -38.44 80.51 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.61 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -58.26 -44.2 88.25 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.112 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -63.01 -41.24 99.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.216 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.595 ' CZ ' ' OE2' ' B' ' 91' ' ' GLU . 67.6 t80 -60.75 -43.82 97.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.732 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -54.23 -37.01 64.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.315 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -52.53 -31.05 33.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.364 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.595 ' OE2' ' CZ ' ' B' ' 88' ' ' PHE . 15.9 pt-20 -58.91 -29.09 66.8 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.288 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -56.15 -34.37 66.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.571 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.6 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -109.63 147.93 32.21 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 110.465 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.53 -36.28 78.03 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.934 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.12 -42.84 95.62 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.82 -41.85 91.34 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.769 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.1 m -61.89 -42.71 99.39 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.5 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -67.57 -39.46 84.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.557 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.685 ' CG ' HG23 ' B' ' 82' ' ' THR . 47.2 ttm -60.26 -43.64 96.0 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.879 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.34 -31.53 67.66 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.243 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.516 HG21 ' HB2' ' B' ' 7' ' ' ALA . 38.5 m -56.3 -37.36 69.78 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.032 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 mt -62.3 -41.89 98.9 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 118.863 -1.135 . . . . 0.0 110.135 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.39 -41.59 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.078 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -59.92 -44.0 94.56 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.671 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.506 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 24.3 m -74.71 -39.85 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.401 ' CE1' HD22 ' A' ' 28' ' ' LEU . 66.7 t80 -62.97 -49.77 73.4 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.254 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -64.7 -47.66 77.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.51 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.83 61.87 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 119.995 -0.682 . . . . 0.0 111.653 -178.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.602 ' CG ' HD13 ' A' ' 36' ' ' LEU . 77.4 m80 -61.92 -46.2 90.36 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.262 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 t -61.41 -41.46 97.18 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.08 0.467 . . . . 0.0 110.859 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.505 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . . . -63.13 -39.33 97.85 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.966 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -59.96 -42.57 94.37 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.503 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.2 mt-10 -129.59 148.97 51.54 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.855 -179.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.29 -164.92 53.75 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.41 136.81 49.9 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.505 ' NZ ' ' O ' ' A' ' 20' ' ' GLY . 59.9 mmtt -61.04 -40.96 95.6 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.418 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -69.44 -33.1 72.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -117.77 151.85 36.48 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.401 HD22 ' CE1' ' A' ' 15' ' ' PHE . 30.2 tp -101.11 134.67 43.77 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.633 178.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -103.32 150.66 23.55 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.486 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 68.1 tttt -56.73 -36.96 70.34 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.381 -0.927 . . . . 0.0 110.421 -178.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.61 -41.29 73.24 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 118.77 -1.172 . . . . 0.0 107.941 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.503 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 47.7 mt-10 -67.2 -37.69 84.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 120.161 -0.616 . . . . 0.0 109.932 177.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.7 tp -64.59 -48.14 76.06 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.531 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -60.95 -45.86 93.04 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.913 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.85 -39.14 93.09 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.283 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.71 HD11 ' OE2' ' A' ' 40' ' ' GLU . 34.1 tp -63.99 -47.1 81.66 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.43 -0.508 . . . . 0.0 112.121 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -70.45 -41.48 72.77 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.816 179.552 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.94 -43.02 97.13 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.744 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.5 m -71.38 -44.16 65.51 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.71 ' OE2' HD11 ' A' ' 36' ' ' LEU . 97.1 mt-10 -75.74 -32.65 60.09 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -177.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.591 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 17.3 tp -99.53 126.39 45.48 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 119.78 -0.768 . . . . 0.0 112.725 -176.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' PHE . 22.8 t -57.78 -31.38 66.48 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.77 178.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.591 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -46.26 -14.97 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 42' ' ' SER . 87.2 t80 -51.18 -39.34 56.2 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.049 -0.661 . . . . 0.0 111.51 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.11 -39.97 76.12 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.638 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.52 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 43.9 p30 -97.01 10.51 39.05 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.557 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -60.01 -37.63 80.28 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.732 -178.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.557 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.9 mt-30 22.14 -145.0 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.598 0.561 . . . . 0.0 111.872 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -59.42 -26.91 65.56 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.083 0.468 . . . . 0.0 109.805 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -54.57 -33.14 59.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.924 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.628 ' O ' HG12 ' A' ' 54' ' ' VAL . 6.4 p -53.13 -31.29 17.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.494 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -54.98 -35.87 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.729 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.62 -27.55 58.5 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.034 0.445 . . . . 0.0 109.858 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.1 p -51.89 -37.5 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.486 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 88.5 m-20 -65.23 -41.57 94.27 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.411 178.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -62.67 -39.84 95.19 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 54' ' ' VAL . 13.7 m -70.76 -30.73 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.049 -178.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.7 mmm -56.68 -38.71 72.6 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.32 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.26 -44.5 97.14 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.881 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -67.74 -43.32 80.22 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.288 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.15 -36.77 82.54 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.52 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 47.9 t0 -85.71 103.9 14.93 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.169 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.01 -35.47 78.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.44 0.638 . . . . 0.0 109.527 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -59.1 -38.75 80.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.599 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.49 4.85 90.09 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 107.849 -2.1 . . . . 0.0 107.849 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.5 p30 -63.74 -33.27 75.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.123 -1.038 . . . . 0.0 112.522 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.32 -2.99 63.58 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -109.1 152.45 25.05 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 t -108.15 133.44 53.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.641 0.734 . . . . 0.0 112.141 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -100.01 159.98 14.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.37 -1.286 . . . . 0.0 107.951 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -51.77 -42.34 62.32 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.095 -1.042 . . . . 0.0 110.001 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.28 -41.52 89.09 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.604 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.453 ' O ' HG22 ' A' ' 76' ' ' VAL . 95.9 mt-10 -68.78 -39.03 80.41 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.321 0.581 . . . . 0.0 110.82 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -63.85 -45.51 89.17 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.452 HG13 ' HB1' ' B' ' 79' ' ' ALA . 3.6 p -60.22 -39.7 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.562 -178.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 73' ' ' GLU . 30.1 m -74.54 -33.29 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.694 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 77' ' ' LEU . 10.0 tt -60.11 -42.1 94.03 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.045 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 75' ' ' VAL . 23.3 m -73.03 -31.77 36.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 120.369 -0.533 . . . . 0.0 111.52 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.445 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -60.86 -37.6 82.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.71 -178.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.86 -43.8 91.79 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.597 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.486 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.3 mp -65.84 -35.09 79.7 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 120.877 0.37 . . . . 0.0 110.368 178.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.681 HG23 ' CG ' ' B' ' 8' ' ' MET . 67.5 m -52.13 -38.63 58.1 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.83 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.81 -35.75 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.595 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.89 94.88 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.15 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 47.9 ttp -60.14 -38.03 81.86 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 119.362 -0.935 . . . . 0.0 108.79 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.72 -42.39 88.6 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.791 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.36 -42.52 98.84 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -60.99 -40.35 93.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.344 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -53.48 -38.98 64.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.903 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -53.92 -34.89 60.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.094 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.19 -33.04 67.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.226 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -102.99 136.79 42.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.409 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.555 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -109.8 147.93 32.39 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.36 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.53 -36.26 77.99 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.9 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.18 -42.8 95.76 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.8 -41.79 91.5 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.837 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -61.8 -42.86 99.54 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.815 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.516 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -67.45 -39.38 85.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.61 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.681 ' CG ' HG23 ' A' ' 82' ' ' THR . 47.2 ttm -60.35 -43.62 96.3 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.877 -178.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.37 -31.52 67.72 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.247 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.5 HG21 ' HB2' ' A' ' 7' ' ' ALA . 38.5 m -56.29 -37.27 69.64 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.101 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 mt -62.4 -41.84 98.98 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.129 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -66.53 -41.48 88.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.039 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.01 -43.91 94.92 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.657 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.514 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 24.6 m -74.71 -39.88 46.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -62.95 -49.79 73.37 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.264 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -64.63 -47.77 77.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.54 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.41 -50.93 61.77 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 120.02 -0.672 . . . . 0.0 111.697 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.601 ' CG ' HD13 ' B' ' 36' ' ' LEU . 77.4 m80 -61.85 -46.25 90.26 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.331 -0.547 . . . . 0.0 111.289 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.6 t -61.37 -41.33 96.92 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.436 ' O ' ' NZ ' ' B' ' 25' ' ' LYS . . . -63.23 -39.27 97.7 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.944 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -59.97 -42.66 94.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.498 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.2 mt-10 -129.51 148.99 51.47 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.808 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.37 -164.99 53.73 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.36 136.72 49.93 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.436 ' NZ ' ' O ' ' B' ' 20' ' ' GLY . 60.0 mmtt -60.91 -41.11 95.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.11 0.481 . . . . 0.0 110.338 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -69.39 -33.13 72.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -117.63 151.78 36.51 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -177.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.6 tp -101.07 134.71 43.67 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 114.488 -1.233 . . . . 0.0 109.699 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -103.35 150.6 23.64 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.508 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 68.0 tttt -56.62 -37.0 70.09 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.485 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.53 -41.4 73.14 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 118.846 -1.141 . . . . 0.0 107.961 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.498 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 47.8 mt-10 -67.16 -37.68 84.18 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.965 177.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.63 -48.25 75.53 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.451 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -60.8 -45.97 92.32 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.945 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.74 -39.07 93.02 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.332 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.7 HD11 ' OE2' ' B' ' 40' ' ' GLU . 34.2 tp -64.11 -47.04 81.53 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.472 -0.491 . . . . 0.0 112.071 -178.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.9 OUTLIER -70.45 -41.61 72.59 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.723 179.599 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.89 -43.04 97.19 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 119.712 -0.795 . . . . 0.0 111.783 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.7 m -71.36 -44.18 65.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.7 ' OE2' HD11 ' B' ' 36' ' ' LEU . 97.2 mt-10 -75.75 -32.61 60.06 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.593 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 17.2 tp -99.56 126.38 45.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 119.763 -0.775 . . . . 0.0 112.692 -176.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.491 ' O ' ' N ' ' B' ' 44' ' ' PHE . 22.7 t -57.77 -31.42 66.5 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.756 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.593 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -46.15 -15.02 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' B' ' 42' ' ' SER . 87.4 t80 -51.13 -39.37 56.1 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.568 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.13 -39.9 76.07 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.607 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.515 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 43.9 p30 -97.15 10.54 39.13 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.556 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -60.03 -37.71 80.6 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.707 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.556 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.9 mt-30 22.14 -145.06 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.554 0.534 . . . . 0.0 111.907 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -59.41 -26.75 65.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.084 0.469 . . . . 0.0 109.87 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.7 -33.15 60.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.917 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.631 ' O ' HG12 ' B' ' 54' ' ' VAL . 6.4 p -53.07 -31.32 17.33 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.489 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.04 -35.74 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.757 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.74 -27.35 59.15 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.136 0.494 . . . . 0.0 109.887 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.631 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.2 p -52.0 -37.59 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.508 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 87.9 m-20 -65.12 -41.51 94.79 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.51 178.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.81 -39.71 95.14 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.428 HG22 ' O ' ' B' ' 54' ' ' VAL . 13.5 m -70.74 -30.95 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.966 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.7 mmm -56.62 -38.72 72.49 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.283 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.3 -44.5 97.11 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.746 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -67.72 -43.33 80.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.314 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.1 -36.86 82.86 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 47.9 t0 -85.72 103.95 14.98 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 119.822 -0.751 . . . . 0.0 111.205 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.98 -35.49 78.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.392 0.615 . . . . 0.0 109.539 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -59.12 -38.74 80.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.604 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.51 4.83 90.11 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.647 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 48.0 p30 -63.76 -33.2 75.14 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.205 -0.998 . . . . 0.0 112.465 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.647 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.33 -3.1 63.62 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.616 -0.993 . . . . 0.0 110.616 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -109.01 152.4 25.04 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 34.3 t -108.13 133.33 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 112.172 -177.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -99.9 159.95 14.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.022 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -51.72 -42.35 62.2 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.146 -1.021 . . . . 0.0 110.01 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.28 -41.51 89.07 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.604 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.447 ' O ' HG22 ' B' ' 76' ' ' VAL . 95.9 mt-10 -68.86 -38.96 80.07 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.888 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -63.85 -45.56 88.95 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.445 HG13 ' HB1' ' A' ' 79' ' ' ALA . 3.5 p -60.11 -39.61 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.634 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.447 HG22 ' O ' ' B' ' 73' ' ' GLU . 30.5 m -74.74 -33.28 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.572 178.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.423 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.9 tt -60.01 -42.17 93.71 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.43 HG22 ' O ' ' B' ' 75' ' ' VAL . 23.2 m -73.02 -31.73 36.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.54 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.452 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -60.81 -37.78 83.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.732 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.82 92.09 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.618 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.505 ' H ' HD12 ' B' ' 81' ' ' LEU . 6.3 mp -65.89 -35.01 79.46 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.342 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.685 HG23 ' CG ' ' A' ' 8' ' ' MET . 70.5 m -52.19 -38.62 58.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.789 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.83 -35.76 66.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.573 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.84 94.75 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.366 -0.534 . . . . 0.0 111.041 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 48.0 ttp -60.14 -38.02 81.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 119.439 -0.904 . . . . 0.0 108.791 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.77 -42.46 88.99 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.728 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.25 -42.53 98.78 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.304 0.573 . . . . 0.0 109.463 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -60.98 -40.29 92.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.416 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -53.53 -39.08 64.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.812 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -53.71 -34.99 60.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.164 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.16 -33.0 66.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.284 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.02 136.79 42.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.443 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.667 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.49 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 29.5 t -107.49 142.4 37.43 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.952 0.405 . . . . 0.0 110.487 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.06 -37.46 71.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.761 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.0 tp -59.37 -42.69 92.18 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.376 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.805 ' OE2' HD12 ' B' ' 41' ' ' LEU . 76.9 mm-40 -66.38 -38.51 87.71 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.393 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 m -60.34 -43.02 96.83 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.172 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.478 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -68.06 -39.31 83.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.045 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.706 ' CG ' HG23 ' B' ' 82' ' ' THR . 47.1 ttm -60.14 -43.65 95.55 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -57.86 -31.11 66.37 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.262 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.472 HG21 ' HB2' ' B' ' 7' ' ' ALA . 39.0 m -56.0 -37.69 69.46 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.293 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.25 -42.44 99.18 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.186 -1.005 . . . . 0.0 110.818 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.495 HD12 ' HE1' ' B' ' 85' ' ' MET . 74.7 mt -65.38 -43.68 94.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.952 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -60.41 -41.07 93.14 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.709 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.403 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 29.9 m -73.22 -38.02 53.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.404 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -60.59 -48.79 80.2 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.651 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.466 ' CD2' HG22 ' A' ' 12' ' ' ILE . 8.1 m-70 -62.38 -46.05 90.39 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.196 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.59 -48.54 74.57 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.785 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.499 ' CB ' HD12 ' A' ' 36' ' ' LEU . 72.9 m80 -62.58 -47.38 84.06 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.214 -0.595 . . . . 0.0 111.67 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.9 t -61.26 -41.0 96.17 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.973 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.28 96.21 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.42 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.05 -41.17 87.24 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -125.4 149.33 48.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 111.19 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.76 -162.05 3.4 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -73.14 135.67 44.73 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.01 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -60.03 -39.0 84.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.08 0.466 . . . . 0.0 110.869 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -64.87 -32.01 73.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.368 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -114.82 141.47 47.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.311 0.577 . . . . 0.0 111.912 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -110.7 132.88 53.81 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.447 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.9 m -104.09 150.96 23.83 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.439 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 25.7 tttm -56.07 -35.73 67.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 118.644 -1.222 . . . . 0.0 109.371 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.54 -40.85 72.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.32 -37.52 85.56 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.446 HD21 ' CD1' ' A' ' 77' ' ' LEU . 28.0 tp -62.42 -44.22 96.95 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.052 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -59.91 -42.59 94.24 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.218 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.23 -40.49 94.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.339 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.499 HD12 ' CB ' ' A' ' 18' ' ' HIS . 8.4 tt -64.92 -43.49 92.64 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.024 -179.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.422 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -68.48 -43.5 76.79 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 120.491 -0.483 . . . . 0.0 112.161 -179.819 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.57 -43.66 93.18 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.952 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.1 m -71.73 -47.04 56.49 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.492 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.6 mm-40 -76.89 -33.82 57.78 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -177.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.819 HD12 ' OE2' ' B' ' 5' ' ' GLU . 12.2 tp -103.0 138.81 39.38 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.576 0.703 . . . . 0.0 112.751 -176.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.621 ' O ' ' N ' ' A' ' 44' ' ' PHE . 26.5 m -51.35 -27.0 8.58 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.568 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -43.51 -10.27 0.01 OUTLIER Glycine 0 CA--C 1.524 0.609 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.472 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 42' ' ' SER . 60.4 t80 -45.59 -37.57 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.8 -35.92 69.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.732 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.568 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 33.1 p30 -83.64 11.35 7.39 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.922 0.391 . . . . 0.0 110.686 -179.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.505 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -58.16 -25.01 60.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.529 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.669 ' O ' HG12 ' A' ' 51' ' ' VAL . 94.5 mm-40 -54.88 -152.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.992 0.425 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -56.43 -27.92 58.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.774 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.92 -35.03 63.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.912 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.706 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.6 p -53.7 -29.55 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.698 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.65 -34.95 60.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.71 -28.71 61.43 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.387 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.706 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.8 p -55.34 -34.67 34.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.142 0.496 . . . . 0.0 109.838 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -64.6 -43.16 94.7 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.939 -0.705 . . . . 0.0 112.089 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -69.37 -45.97 68.08 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.476 0.655 . . . . 0.0 112.072 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.87 -32.13 55.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.637 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.439 ' SD ' ' HD2' ' A' ' 30' ' ' LYS . 17.8 ttt -55.77 -38.39 69.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.441 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -59.16 -40.76 86.57 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.742 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.73 -39.55 88.03 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.203 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.1 mt -67.59 -37.31 82.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.852 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -85.92 107.44 17.72 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.243 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.84 -35.88 81.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.162 0.506 . . . . 0.0 110.004 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -59.09 -38.77 80.31 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.191 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.79 14.03 81.81 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 108.742 -1.743 . . . . 0.0 108.742 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.5 p30 -90.09 2.53 55.15 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.26 9.56 60.97 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -105.22 143.22 33.69 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.5 t -108.98 130.36 62.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-O 121.763 0.792 . . . . 0.0 111.488 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -110.63 160.85 16.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.754 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -53.28 -41.77 65.91 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.641 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.495 ' O ' HG12 ' A' ' 75' ' ' VAL . 63.4 tt0 -59.39 -40.81 87.75 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.05 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.49 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.7 mt-10 -67.46 -38.35 84.31 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.712 -0.795 . . . . 0.0 109.812 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.425 ' CE2' HG11 ' A' ' 78' ' ' VAL . 76.7 t80 -63.11 -44.3 96.04 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.249 -0.887 . . . . 0.0 113.322 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 72' ' ' GLN . 2.8 p -59.77 -38.88 78.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 119.764 -0.775 . . . . 0.0 110.655 -178.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 73' ' ' GLU . 30.7 m -75.66 -34.23 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.861 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.446 ' CD1' HD21 ' A' ' 33' ' ' LEU . 10.0 tt -60.2 -42.09 94.37 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.179 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.425 HG11 ' CE2' ' A' ' 74' ' ' TYR . 23.1 m -73.25 -33.47 41.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 120.219 -0.593 . . . . 0.0 111.133 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.436 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -62.13 -38.89 90.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.225 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.18 -42.82 93.26 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.312 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.7 mt -64.57 -36.67 84.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.608 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.703 HG23 ' CG ' ' B' ' 8' ' ' MET . 59.0 m -53.22 -37.86 62.39 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.804 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.401 HG21 ' HG3' ' B' ' 72' ' ' GLN . 85.8 t -60.07 -35.27 60.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.215 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.12 -34.36 76.2 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.772 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.433 ' HE1' HD12 ' B' ' 12' ' ' ILE . 4.7 ttp -58.6 -38.17 77.41 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.378 -179.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -57.93 -42.73 85.45 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -62.42 -40.94 98.18 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 113.794 -1.548 . . . . 0.0 110.172 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.56 -41.14 93.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.401 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -53.11 -39.53 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.892 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.8 -34.85 63.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.701 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.25 -32.72 72.53 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.66 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -100.05 120.0 39.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.538 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.58 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.627 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.492 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 29.0 t -107.41 142.41 37.28 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.993 0.425 . . . . 0.0 110.52 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.07 -37.45 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.818 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 tp -59.39 -42.59 92.07 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.503 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.819 ' OE2' HD12 ' A' ' 41' ' ' LEU . 76.9 mm-40 -66.37 -38.56 87.84 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.35 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.4 m -60.14 -43.19 95.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.22 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.472 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -67.98 -39.4 83.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.999 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.703 ' CG ' HG23 ' A' ' 82' ' ' THR . 47.2 ttm -60.15 -43.67 95.58 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.381 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -57.83 -31.08 66.28 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.32 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.478 HG21 ' HB2' ' A' ' 7' ' ' ALA . 39.1 m -56.12 -37.65 69.71 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.237 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.2 -42.47 99.31 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 119.16 -1.016 . . . . 0.0 110.828 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.473 HG22 ' CD2' ' B' ' 16' ' ' HIS . 74.5 mt -65.33 -43.66 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.052 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.53 -40.99 93.48 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.595 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 30.2 m -73.24 -38.07 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.424 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.49 -48.86 79.93 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.703 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.473 ' CD2' HG22 ' B' ' 12' ' ' ILE . 8.0 m-70 -62.27 -46.11 90.27 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.264 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.57 -48.43 75.02 Favored 'General case' 0 C--N 1.334 -0.097 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.869 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.495 ' CB ' HD12 ' B' ' 36' ' ' LEU . 72.9 m80 -62.73 -47.27 84.31 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.636 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.9 t -61.38 -40.96 96.27 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.989 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.18 -38.32 96.32 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.44 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.08 -41.14 87.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -125.37 149.24 48.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 111.233 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.86 -162.04 3.52 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.36 135.8 44.33 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.556 -0.457 . . . . 0.0 109.976 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -60.01 -39.04 84.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.038 0.447 . . . . 0.0 110.861 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -64.93 -31.97 73.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.332 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -114.76 141.44 47.85 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.317 0.58 . . . . 0.0 111.978 -178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -110.77 132.82 53.87 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.439 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.7 m -104.09 151.04 23.75 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.433 ' HD2' ' SD ' ' B' ' 58' ' ' MET . 25.7 tttm -56.11 -35.78 67.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 118.655 -1.218 . . . . 0.0 109.279 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.49 -40.91 72.29 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.28 -37.49 85.56 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.45 HD21 ' CD1' ' B' ' 77' ' ' LEU . 27.9 tp -62.45 -44.21 96.95 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.108 -178.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -59.85 -42.65 94.08 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 119.025 -1.07 . . . . 0.0 110.26 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.17 -40.51 94.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.338 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.495 HD12 ' CB ' ' B' ' 18' ' ' HIS . 8.4 tt -64.89 -43.55 92.55 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.201 -0.599 . . . . 0.0 111.072 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' B' ' 37' ' ' LEU . 0.5 OUTLIER -68.43 -43.46 77.07 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 120.502 -0.479 . . . . 0.0 112.207 -179.867 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.57 -43.67 93.13 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.052 -1.059 . . . . 0.0 111.995 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -71.77 -46.94 56.73 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.49 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 77.6 mm-40 -76.97 -33.77 57.61 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.805 HD12 ' OE2' ' A' ' 5' ' ' GLU . 12.2 tp -103.04 138.87 39.33 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.572 0.701 . . . . 0.0 112.734 -176.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.623 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.5 m -51.33 -27.01 8.52 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.555 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -43.46 -10.35 0.01 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.623 ' N ' ' O ' ' B' ' 42' ' ' SER . 60.3 t80 -45.58 -37.59 5.66 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.73 -35.99 69.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.783 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.555 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 33.2 p30 -83.63 11.49 7.16 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.926 0.393 . . . . 0.0 110.697 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -58.17 -25.03 61.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.54 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.655 ' O ' HG12 ' B' ' 51' ' ' VAL . 94.5 mm-40 -54.89 -152.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.967 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -56.42 -27.99 58.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.696 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.91 -35.05 63.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.969 0.414 . . . . 0.0 109.886 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.701 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.6 p -53.81 -29.39 17.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.682 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.72 -34.94 60.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.74 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.72 -28.8 61.65 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.337 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.701 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.8 p -55.33 -34.6 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.88 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -64.55 -43.24 94.58 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.979 -0.688 . . . . 0.0 112.069 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -69.29 -45.98 68.3 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.531 0.681 . . . . 0.0 112.124 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.9 -32.15 55.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.628 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.433 ' SD ' ' HD2' ' B' ' 30' ' ' LYS . 17.9 ttt -55.73 -38.32 69.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.437 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -59.14 -40.85 86.8 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.748 -178.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.68 -39.66 88.22 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 67.2 mt -67.51 -37.36 82.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.855 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -85.98 107.51 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.227 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.01 -35.78 80.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.978 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -59.02 -38.78 80.09 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.227 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.71 14.14 81.6 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 108.739 -1.745 . . . . 0.0 108.739 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -90.1 2.47 55.23 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.29 9.53 61.01 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -105.12 143.16 33.68 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.0 130.32 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-O 121.693 0.759 . . . . 0.0 111.586 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -110.66 160.8 16.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.432 -1.258 . . . . 0.0 108.695 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -53.13 -41.87 65.49 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.22 -0.992 . . . . 0.0 109.612 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.501 ' O ' HG12 ' B' ' 75' ' ' VAL . 63.3 tt0 -59.41 -40.82 87.86 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.052 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.491 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.8 mt-10 -67.38 -38.45 84.73 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.807 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.421 ' CE2' HG11 ' B' ' 78' ' ' VAL . 77.0 t80 -63.13 -44.32 95.91 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.249 -0.887 . . . . 0.0 113.298 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.501 HG12 ' O ' ' B' ' 72' ' ' GLN . 2.7 p -59.73 -38.85 77.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.693 -178.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.491 HG22 ' O ' ' B' ' 73' ' ' GLU . 30.9 m -75.67 -34.2 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.918 178.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.45 ' CD1' HD21 ' B' ' 33' ' ' LEU . 10.0 tt -60.24 -42.08 94.51 Favored 'General case' 0 C--O 1.23 0.055 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.116 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.421 HG11 ' CE2' ' B' ' 74' ' ' TYR . 23.2 m -73.25 -33.4 41.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.185 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.424 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -62.32 -38.77 90.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.196 -178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.16 -42.87 93.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.309 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.3 mt -64.54 -36.67 84.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.553 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.706 HG23 ' CG ' ' A' ' 8' ' ' MET . 59.6 m -53.16 -38.02 62.39 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.727 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 83.4 t -59.87 -35.38 60.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.279 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.42 76.23 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.847 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.495 ' HE1' HD12 ' A' ' 12' ' ' ILE . 4.7 ttp -58.58 -38.19 77.38 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 119.821 -0.751 . . . . 0.0 110.334 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -57.84 -42.88 85.32 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -62.41 -40.9 98.03 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.216 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.61 -41.12 94.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.387 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -53.12 -39.46 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.948 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.85 -34.78 63.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.738 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.38 -32.62 72.54 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.624 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.09 120.03 39.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.532 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.56 -179.949 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.517 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 46.6 t -107.51 140.0 41.17 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.76 0.314 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -61.87 -37.37 84.3 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -61.64 -41.43 97.5 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.988 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.27 -40.97 94.61 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.445 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.5 m -62.04 -43.19 99.38 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.777 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.75 85.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.309 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.603 ' CG ' HG23 ' B' ' 82' ' ' THR . 65.2 ttp -61.44 -43.34 99.04 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.326 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.37 -31.37 67.58 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.066 0.46 . . . . 0.0 110.134 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.3 m -56.39 -35.87 68.24 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.83 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.5 mt -60.3 -41.38 93.3 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 118.94 -1.104 . . . . 0.0 110.959 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.98 -47.22 91.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.034 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -60.17 -43.03 96.15 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.425 ' C ' ' HD1' ' A' ' 18' ' ' HIS . 26.5 m -71.72 -35.9 57.13 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 C-N-CA 119.946 -0.702 . . . . 0.0 110.259 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -60.1 -49.83 76.08 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.729 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -63.8 -47.09 82.26 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.3 -51.58 55.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 120.019 -0.672 . . . . 0.0 112.087 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.439 ' CD2' ' CD1' ' A' ' 36' ' ' LEU . 75.5 m80 -62.23 -46.99 86.39 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.292 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.571 ' OG ' HD13 ' A' ' 28' ' ' LEU . 19.7 m -61.59 -38.86 89.1 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.122 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.52 -38.19 95.95 Favored Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -59.6 -40.05 86.23 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -126.22 155.69 41.43 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -177.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.22 -136.92 48.03 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-N 114.495 -1.23 . . . . 0.0 112.857 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -82.85 119.8 24.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -59.35 -38.42 80.34 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.474 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -67.29 -33.04 74.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.426 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -121.27 150.89 40.71 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.639 0.733 . . . . 0.0 112.954 -178.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.571 HD13 ' OG ' ' A' ' 19' ' ' SER . 22.5 tp -101.48 131.6 47.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.7 178.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -103.9 151.37 23.22 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.882 0.372 . . . . 0.0 110.013 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.687 ' NZ ' ' SD ' ' A' ' 58' ' ' MET . 38.3 tttt -57.33 -37.84 73.16 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.094 -178.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -56.29 -41.57 76.13 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.552 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.4 mt-10 -66.57 -37.12 84.26 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.076 177.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.77 HD11 ' CD2' ' A' ' 77' ' ' LEU . 16.1 tp -64.98 -46.66 80.55 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.404 ' HB3' HE21 ' A' ' 38' ' ' GLN . 29.6 mtmt -60.16 -47.79 84.44 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 118.629 -1.228 . . . . 0.0 109.76 -178.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' OG1' ' A' ' 39' ' ' THR . 84.4 tt0 -62.82 -39.98 95.97 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.005 -1.452 . . . . 0.0 111.686 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' CD1' ' CD2' ' A' ' 18' ' ' HIS . 39.7 tp -65.61 -47.93 74.0 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.453 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -69.89 -43.98 70.65 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 119.558 -0.857 . . . . 0.0 111.841 -179.687 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.404 HE21 ' HB3' ' A' ' 34' ' ' LYS . 57.5 mt-30 -65.46 -41.67 93.15 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.85 -0.74 . . . . 0.0 111.414 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 48.5 m -69.47 -44.38 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.507 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 76.0 mm-40 -76.26 -33.84 59.16 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.0 mt -100.04 150.8 22.07 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.608 ' O ' ' N ' ' A' ' 44' ' ' PHE . 26.3 m -53.61 -28.0 30.0 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 113.837 -1.528 . . . . 0.0 108.078 178.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -44.91 -8.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.606 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.508 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.608 ' N ' ' O ' ' A' ' 42' ' ' SER . 66.7 t80 -48.47 -37.77 18.21 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -55.4 -35.8 65.73 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 48' ' ' GLN . 52.5 t0 -54.37 -31.29 54.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.562 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -32.87 -23.08 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.901 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.658 ' N ' ' O ' ' A' ' 46' ' ' ASP . 94.1 mt-30 -51.5 -174.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -56.37 -28.63 59.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.381 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.27 -34.19 63.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.18 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.641 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.1 p -52.18 -27.17 9.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.944 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -53.0 -35.38 59.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.682 0.277 . . . . 0.0 111.017 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.26 -28.23 62.78 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.053 0.454 . . . . 0.0 110.175 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.641 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.6 p -53.12 -36.76 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.567 ' HA ' ' HZ1' ' A' ' 30' ' ' LYS . 88.8 m-20 -65.27 -42.57 93.09 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.034 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -63.1 -41.17 99.33 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.5 m -73.76 -29.32 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.687 ' SD ' ' NZ ' ' A' ' 30' ' ' LYS . 16.6 ttt -54.62 -38.26 66.6 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.014 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -59.01 -39.98 83.51 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.532 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.36 -39.78 89.36 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.516 ' CD1' HD12 ' A' ' 77' ' ' LEU . 73.7 mt -67.69 -37.89 82.93 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.737 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.513 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 57.0 t0 -87.37 103.74 15.77 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.17 -179.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.6 -34.74 76.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.289 0.566 . . . . 0.0 110.358 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -57.9 -38.98 76.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.342 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.12 5.7 81.37 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 107.785 -2.126 . . . . 0.0 107.785 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.8 p30 -63.4 -33.33 75.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.043 -1.079 . . . . 0.0 113.017 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.653 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.14 -1.99 63.24 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -109.81 153.72 24.0 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.404 HG21 HD22 ' A' ' 33' ' ' LEU . 43.0 t -106.98 132.91 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 0.0 111.432 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 56.8 t0 -102.86 155.29 18.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.054 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.481 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 80.1 t80 -51.82 -41.56 61.86 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.129 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.471 ' O ' HG12 ' A' ' 75' ' ' VAL . 63.6 tt0 -58.69 -40.5 83.81 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.869 -0.732 . . . . 0.0 110.206 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.469 ' O ' HG22 ' A' ' 76' ' ' VAL . 95.0 mt-10 -67.4 -38.48 84.72 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.67 0.747 . . . . 0.0 109.852 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -62.94 -44.78 95.14 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.148 -0.933 . . . . 0.0 113.208 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.532 HG13 ' HB1' ' B' ' 79' ' ' ALA . 2.6 p -60.32 -39.73 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.81 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 73' ' ' GLU . 31.1 m -74.73 -33.35 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.482 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.77 ' CD2' HD11 ' A' ' 33' ' ' LEU . 15.2 tp -57.64 -45.54 85.32 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.924 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.44 -32.71 43.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.743 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.533 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -61.71 -37.88 85.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.368 -179.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.75 -44.75 84.95 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.178 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.447 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.2 mp -65.62 -35.77 81.78 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.656 179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.61 HG23 ' CG ' ' B' ' 8' ' ' MET . 65.6 m -52.8 -38.24 60.95 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.391 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.94 -34.87 61.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.633 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.47 84.48 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.635 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.3 ttt -59.84 -39.14 84.12 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.453 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -57.79 -42.58 84.44 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.389 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.64 -41.61 97.74 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.504 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.28 -41.34 93.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.649 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -53.79 -39.53 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.925 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -54.47 -34.76 62.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.237 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -57.48 -33.22 67.77 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.504 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -103.25 136.86 42.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.499 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.568 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.743 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.507 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 46.7 t -107.56 139.95 41.31 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.711 0.291 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -61.74 -37.54 84.6 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -61.53 -41.51 97.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.012 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.21 -41.06 94.85 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.385 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.9 m -61.97 -43.23 99.27 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.703 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.74 85.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.213 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.61 ' CG ' HG23 ' A' ' 82' ' ' THR . 65.2 ttp -61.4 -43.33 99.05 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.41 -31.3 67.58 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.022 0.439 . . . . 0.0 110.127 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -56.5 -35.89 68.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.75 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.4 mt -60.31 -41.33 93.24 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 118.897 -1.121 . . . . 0.0 111.005 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.96 -47.24 91.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.027 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -60.16 -42.98 96.07 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.439 ' C ' ' HD1' ' B' ' 18' ' ' HIS . 26.5 m -71.79 -35.88 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.244 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.07 -49.82 76.13 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 119.399 -0.921 . . . . 0.0 109.752 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -63.68 -47.23 82.03 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.3 -51.46 57.17 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 119.963 -0.695 . . . . 0.0 112.152 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.448 ' CD2' ' CD1' ' B' ' 36' ' ' LEU . 75.5 m80 -62.27 -47.03 86.16 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.259 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.561 ' OG ' HD13 ' B' ' 28' ' ' LEU . 19.7 m -61.66 -38.8 89.09 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.117 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.54 -38.25 96.05 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 115.054 -0.976 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -59.61 -39.98 85.99 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.547 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -126.27 155.71 41.47 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.17 -136.93 47.91 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 114.441 -1.254 . . . . 0.0 112.794 177.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -82.81 119.88 24.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -59.33 -38.39 80.23 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.572 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -67.29 -33.06 74.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.457 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -121.18 150.99 40.47 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -178.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.561 HD13 ' OG ' ' B' ' 19' ' ' SER . 22.3 tp -101.58 131.57 47.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.663 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -103.92 151.38 23.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.064 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.681 ' NZ ' ' SD ' ' B' ' 58' ' ' MET . 38.2 tttt -57.39 -37.79 73.23 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.074 -178.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -56.27 -41.57 76.04 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.547 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -66.55 -37.09 84.24 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.098 177.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.76 HD11 ' CD2' ' B' ' 77' ' ' LEU . 16.1 tp -65.01 -46.77 80.01 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -60.11 -47.74 84.62 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 118.637 -1.225 . . . . 0.0 109.789 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.9 -39.85 95.77 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.046 -1.434 . . . . 0.0 111.719 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.448 ' CD1' ' CD2' ' B' ' 18' ' ' HIS . 39.7 tp -65.81 -47.79 73.9 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.092 -0.643 . . . . 0.0 112.422 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.5 OUTLIER -69.91 -43.91 70.77 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 119.529 -0.869 . . . . 0.0 111.903 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -65.55 -41.63 92.78 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.756 -0.777 . . . . 0.0 111.395 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.7 m -69.48 -44.36 71.3 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.517 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 75.9 mm-40 -76.24 -33.9 59.19 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 72.5 mt -99.97 150.86 21.98 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.611 ' O ' ' N ' ' B' ' 44' ' ' PHE . 27.1 m -53.63 -28.04 30.56 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 113.889 -1.505 . . . . 0.0 108.037 178.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' B' ' 46' ' ' ASP . . . -44.87 -8.87 0.01 OUTLIER Glycine 0 CA--C 1.524 0.606 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.511 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.611 ' N ' ' O ' ' B' ' 42' ' ' SER . 66.8 t80 -48.57 -37.65 18.47 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 28.4 tp -55.48 -35.82 65.95 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' B' ' 48' ' ' GLN . 52.5 t0 -54.39 -31.24 54.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.54 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -32.88 -23.05 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.912 -178.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.651 ' N ' ' O ' ' B' ' 46' ' ' ASP . 94.0 mt-30 -51.48 -174.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -56.28 -28.67 59.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.866 0.365 . . . . 0.0 110.433 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.33 -34.17 63.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.169 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.64 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.0 p -52.08 -27.27 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.981 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -53.01 -35.34 59.29 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.048 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.17 -28.34 62.7 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.153 0.501 . . . . 0.0 110.215 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.64 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.5 p -53.02 -36.81 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.545 ' HA ' ' HZ1' ' B' ' 30' ' ' LYS . 88.7 m-20 -65.19 -42.69 93.36 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.981 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -63.01 -41.19 99.5 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 19.6 m -73.84 -29.3 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.681 ' SD ' ' NZ ' ' B' ' 30' ' ' LYS . 16.5 ttt -54.59 -38.24 66.5 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.068 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -59.0 -40.03 83.64 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.538 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.25 -39.92 89.84 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.515 ' CD1' HD12 ' B' ' 77' ' ' LEU . 73.3 mt -67.57 -37.95 83.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.733 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.499 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 57.2 t0 -87.42 103.81 15.85 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.181 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.63 -34.71 76.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.257 0.551 . . . . 0.0 110.324 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -57.92 -38.9 76.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.374 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.05 5.63 80.91 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 107.811 -2.116 . . . . 0.0 107.811 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.7 p30 -63.35 -33.37 75.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.004 -1.098 . . . . 0.0 113.037 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.645 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.1 -1.81 63.18 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.413 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 96.3 mt-10 -109.84 153.73 24.02 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.424 HG21 HD22 ' B' ' 33' ' ' LEU . 43.0 t -106.96 132.95 53.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.561 0.696 . . . . 0.0 111.474 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 56.8 t0 -102.86 155.29 18.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.008 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.472 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 80.4 t80 -51.69 -41.71 61.63 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.083 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.484 ' O ' HG12 ' B' ' 75' ' ' VAL . 63.6 tt0 -58.72 -40.41 83.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.209 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.469 ' O ' HG22 ' B' ' 76' ' ' VAL . 95.0 mt-10 -67.45 -38.45 84.49 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.657 0.741 . . . . 0.0 109.896 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -62.98 -44.7 95.32 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.05 -0.977 . . . . 0.0 113.197 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.533 HG13 ' HB1' ' A' ' 79' ' ' ALA . 2.5 p -60.41 -39.74 81.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.767 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 73' ' ' GLU . 31.1 m -74.74 -33.43 31.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 120.186 -0.605 . . . . 0.0 109.381 178.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.76 ' CD2' HD11 ' B' ' 33' ' ' LEU . 15.1 tp -57.52 -45.61 84.79 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.973 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 m -72.43 -32.6 42.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.832 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.532 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -61.64 -37.97 85.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.329 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.82 -44.75 84.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.122 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.454 ' H ' HD12 ' B' ' 81' ' ' LEU . 6.2 mp -65.64 -35.81 81.87 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 120.499 -0.481 . . . . 0.0 110.549 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.603 HG23 ' CG ' ' A' ' 8' ' ' MET . 64.3 m -52.74 -38.23 60.57 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.442 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 87.0 t -60.94 -34.92 61.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.67 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.46 84.41 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.675 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 25.3 ttt -59.78 -39.11 83.79 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.536 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -57.85 -42.53 84.62 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.304 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.75 -41.53 97.8 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.455 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.31 -41.29 93.16 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.684 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.85 -39.5 65.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.961 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -54.5 -34.72 62.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.208 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -57.48 -33.29 67.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.501 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -103.22 136.8 42.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.48 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.518 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 p -69.58 162.23 28.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.697 0.284 . . . . 0.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.03 -36.9 80.75 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.446 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp -61.17 -42.58 98.81 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.946 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.41 -42.08 88.33 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.049 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.0 m -61.94 -43.33 99.07 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.096 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.26 -40.74 81.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.552 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.551 ' CG ' HG23 ' B' ' 82' ' ' THR . 63.1 ttp -61.99 -42.02 98.67 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.64 -31.29 68.0 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 120.978 0.418 . . . . 0.0 110.217 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.0 m -56.16 -35.54 67.3 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.36 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.1 mt -59.21 -42.67 91.53 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.242 -0.983 . . . . 0.0 110.826 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.417 HD12 ' CE ' ' B' ' 85' ' ' MET . 73.8 mt -65.66 -41.51 90.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.961 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -60.13 -41.23 92.22 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.433 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -74.72 -39.06 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 120.194 -0.603 . . . . 0.0 111.101 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.541 ' CE1' HD22 ' A' ' 28' ' ' LEU . 70.1 t80 -63.8 -50.83 67.42 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.568 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -64.31 -47.32 79.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.172 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.48 85.92 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 120.211 -0.595 . . . . 0.0 111.5 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.573 ' CG ' HD13 ' A' ' 36' ' ' LEU . 86.5 t60 -63.81 -48.19 77.82 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.497 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.8 t -61.07 -40.35 93.33 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.35 -39.2 97.52 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.669 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.73 -41.28 90.55 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -126.65 153.41 45.4 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.839 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.54 -162.64 33.26 Favored Glycine 0 C--N 1.332 0.321 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -71.66 136.31 47.25 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -61.1 -38.86 87.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.078 0.466 . . . . 0.0 110.841 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -67.57 -32.61 73.48 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -117.71 148.64 41.81 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.83 HD12 ' OE1' ' A' ' 32' ' ' GLU . 14.8 tp -104.79 130.82 52.81 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.706 -1.134 . . . . 0.0 108.868 178.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.9 t -103.09 149.72 24.32 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.315 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -55.62 -36.76 67.33 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.145 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -55.58 -40.72 72.36 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.83 ' OE1' HD12 ' A' ' 28' ' ' LEU . 97.3 mt-10 -66.55 -38.84 87.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.708 HD11 HD22 ' A' ' 77' ' ' LEU . 8.8 tt -64.6 -46.64 81.8 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -59.94 -47.09 87.2 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 119.299 -0.96 . . . . 0.0 111.524 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.6 -42.28 87.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.177 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.573 HD13 ' CG ' ' A' ' 18' ' ' HIS . 37.5 tp -65.46 -46.12 81.08 Favored 'General case' 0 CA--C 1.523 -0.094 0 C-N-CA 119.97 -0.692 . . . . 0.0 112.233 -178.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -70.01 -40.95 74.92 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.624 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -64.12 -45.88 86.63 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 119.653 -0.819 . . . . 0.0 111.476 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.0 m -71.23 -43.63 66.94 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -74.57 -33.17 62.62 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.546 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.4 tp -100.39 142.7 31.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.194 0.521 . . . . 0.0 111.648 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.605 ' O ' ' N ' ' A' ' 44' ' ' PHE . 87.0 p -53.29 -23.91 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.567 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -45.43 -10.53 0.02 OUTLIER Glycine 0 CA--C 1.523 0.583 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 178.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.605 ' N ' ' O ' ' A' ' 42' ' ' SER . 55.3 t80 -46.48 -39.1 10.15 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.548 ' H ' HD12 ' A' ' 45' ' ' LEU . 6.8 mp -60.8 -31.52 70.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.281 178.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.567 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 33.1 p30 -81.49 12.25 3.89 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.045 0.45 . . . . 0.0 110.426 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -57.51 -23.04 47.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.509 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.642 ' O ' HG12 ' A' ' 51' ' ' VAL . 93.8 mt-30 -55.37 -151.9 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -56.06 -28.13 56.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.013 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.97 -34.84 63.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.038 0.446 . . . . 0.0 110.063 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 48' ' ' GLN . 5.9 p -52.96 -26.43 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.108 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -53.72 -35.29 61.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.864 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.01 -28.34 62.38 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.013 0.435 . . . . 0.0 110.156 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.657 ' O ' HG12 ' A' ' 57' ' ' VAL . 4.4 p -52.89 -37.29 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -68.04 -39.42 83.08 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -65.89 -42.04 90.76 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.492 0.663 . . . . 0.0 111.865 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.657 HG12 ' O ' ' A' ' 54' ' ' VAL . 9.9 p -61.99 -32.25 53.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.905 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.5 mmm -56.79 -36.13 69.51 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -58.21 -43.34 87.63 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.907 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.2 -38.12 84.82 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.36 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.624 ' CD1' HD13 ' A' ' 77' ' ' LEU . 81.5 mt -66.26 -37.03 84.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.049 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.474 ' OD1' ' OE1' ' A' ' 73' ' ' GLU . 98.5 m-20 -103.74 70.21 1.01 Allowed 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.96 -29.34 70.18 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -53.86 -36.73 62.93 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 114.072 -1.422 . . . . 0.0 109.916 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.03 1.03 73.39 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 108.417 -1.873 . . . . 0.0 108.417 -178.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.69 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.1 p30 -62.86 -35.62 80.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.413 -0.894 . . . . 0.0 112.769 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.69 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 84.63 5.79 86.3 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.4 ' H ' ' CG ' ' A' ' 66' ' ' ASP . 95.8 mt-10 -112.57 156.42 22.69 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.089 -0.555 . . . . 0.0 109.904 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.0 t -107.68 132.95 53.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.503 0.668 . . . . 0.0 111.606 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -102.65 158.57 16.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.292 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -52.79 -41.63 64.29 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.122 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.438 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.5 tt0 -57.92 -40.84 81.39 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.232 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.474 ' OE1' ' OD1' ' A' ' 62' ' ' ASP . 94.3 mt-10 -67.46 -37.78 83.45 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.443 0.64 . . . . 0.0 110.313 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -63.53 -46.0 88.03 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 72' ' ' GLN . 2.8 p -60.36 -39.58 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.138 0 C-N-CA 119.796 -0.762 . . . . 0.0 110.634 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.7 m -74.63 -32.97 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.485 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.708 HD22 HD11 ' A' ' 33' ' ' LEU . 12.9 tp -56.99 -45.36 83.01 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.248 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.408 ' H ' HG22 ' A' ' 78' ' ' VAL . 27.8 m -72.54 -35.14 50.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.203 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.432 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -62.51 -38.98 92.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.276 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.94 87.69 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.676 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.58 -36.31 83.83 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.706 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.546 HG23 ' CG ' ' B' ' 8' ' ' MET . 57.0 m -52.97 -37.71 61.43 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.737 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.02 -35.59 62.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.432 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.75 94.31 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.393 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.423 ' CE ' HD12 ' B' ' 12' ' ' ILE . 47.3 ttp -57.98 -38.33 75.86 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.06 -40.13 84.22 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -59.71 -43.71 94.01 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.443 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -65.59 -34.95 79.43 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.119 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -54.03 -39.2 65.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.868 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -54.12 -34.42 60.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.203 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.03 -33.66 67.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.487 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -104.75 136.98 43.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.523 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.531 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -69.73 162.24 28.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.434 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.03 -36.94 80.86 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.393 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.17 -42.56 98.79 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.004 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.43 -41.95 88.43 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.081 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.5 m -62.09 -43.3 99.14 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.01 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.75 81.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.578 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.546 ' CG ' HG23 ' A' ' 82' ' ' THR . 63.1 ttp -61.92 -42.04 98.64 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -178.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.59 -31.35 67.96 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 120.98 0.419 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.6 m -56.09 -35.47 67.05 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.412 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.3 mt -59.36 -42.62 92.0 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.233 -0.987 . . . . 0.0 110.766 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.423 HD12 ' CE ' ' A' ' 85' ' ' MET . 73.8 mt -65.73 -41.42 90.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.962 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -60.1 -41.27 92.19 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.453 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.85 -39.03 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.999 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.545 ' CE1' HD22 ' B' ' 28' ' ' LEU . 69.9 t80 -63.65 -50.97 67.2 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.538 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -64.33 -47.27 80.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.106 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.36 86.01 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.551 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.564 ' CG ' HD13 ' B' ' 36' ' ' LEU . 86.5 t60 -63.82 -48.23 77.64 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.447 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.6 t -61.03 -40.38 93.38 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.901 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.36 -39.13 97.43 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.714 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.8 -41.22 90.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -126.71 153.49 45.39 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.852 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.43 -162.64 32.86 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.69 136.38 47.23 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -61.06 -38.86 87.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.178 0.514 . . . . 0.0 110.975 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -67.46 -32.68 73.7 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -117.75 148.53 41.95 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.838 HD12 ' OE1' ' B' ' 32' ' ' GLU . 14.8 tp -104.71 130.83 52.7 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.93 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.0 t -103.14 149.74 24.33 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.794 0.33 . . . . 0.0 110.34 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -55.56 -36.8 67.21 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 119.04 -1.064 . . . . 0.0 110.192 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -55.45 -40.72 71.93 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 119.105 -1.038 . . . . 0.0 108.284 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.838 ' OE1' HD12 ' B' ' 28' ' ' LEU . 97.3 mt-10 -66.53 -38.91 88.2 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 177.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.686 HD11 HD22 ' B' ' 77' ' ' LEU . 8.8 tt -64.53 -46.61 82.14 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -59.98 -47.01 87.56 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 119.266 -0.974 . . . . 0.0 111.603 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.7 -42.21 86.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.174 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.564 HD13 ' CG ' ' B' ' 18' ' ' HIS . 37.3 tp -65.37 -46.21 81.07 Favored 'General case' 0 CA--C 1.522 -0.121 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.268 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -70.01 -40.95 74.95 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.059 -0.657 . . . . 0.0 111.664 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -64.1 -45.86 86.75 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.485 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.8 m -71.18 -43.67 67.0 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -74.55 -33.17 62.65 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.539 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.4 tp -100.4 142.8 31.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.302 0.572 . . . . 0.0 111.581 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.594 ' O ' ' N ' ' B' ' 44' ' ' PHE . 86.9 p -53.33 -23.97 10.68 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.582 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -45.36 -10.61 0.02 OUTLIER Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.594 ' N ' ' O ' ' B' ' 42' ' ' SER . 55.3 t80 -46.52 -39.04 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.54 HD12 ' H ' ' B' ' 45' ' ' LEU . 6.8 mp -60.84 -31.45 70.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.309 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.582 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 33.2 p30 -81.51 12.19 3.96 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.009 0.433 . . . . 0.0 110.393 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.504 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -57.51 -22.96 47.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.504 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.644 ' O ' HG12 ' B' ' 51' ' ' VAL . 93.8 mt-30 -55.38 -151.81 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.634 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -56.16 -28.17 57.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.967 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.01 -34.69 63.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.973 0.416 . . . . 0.0 110.103 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.644 HG12 ' O ' ' B' ' 48' ' ' GLN . 5.9 p -53.07 -26.35 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.107 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -53.67 -35.34 60.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.601 0.239 . . . . 0.0 110.807 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.14 -28.22 62.54 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 120.936 0.398 . . . . 0.0 110.13 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.658 ' O ' HG12 ' B' ' 57' ' ' VAL . 4.4 p -52.87 -37.37 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.402 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 87.6 m-20 -67.96 -39.47 83.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -65.97 -42.03 90.4 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.434 0.635 . . . . 0.0 111.82 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.658 HG12 ' O ' ' B' ' 54' ' ' VAL . 9.9 p -61.93 -32.21 53.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.924 -178.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 95.4 mmm -56.94 -36.02 69.76 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -58.22 -43.3 87.65 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.902 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.25 -38.14 84.65 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.489 -0.485 . . . . 0.0 111.361 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.617 ' CD1' HD13 ' B' ' 77' ' ' LEU . 81.5 mt -66.29 -36.94 84.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.058 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.469 ' OD1' ' OE1' ' B' ' 73' ' ' GLU . 98.5 m-20 -103.76 70.26 1.01 Allowed 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.1 -29.3 70.22 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -53.79 -36.81 62.84 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 114.041 -1.436 . . . . 0.0 109.955 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.09 1.09 73.14 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.687 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.2 p30 -62.93 -35.58 80.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.417 -0.892 . . . . 0.0 112.774 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.687 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 84.68 5.67 86.35 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 -178.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -112.57 156.38 22.76 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.07 -0.565 . . . . 0.0 109.927 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.0 t -107.72 133.02 53.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.548 0.69 . . . . 0.0 111.541 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -102.69 158.63 16.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.682 -1.145 . . . . 0.0 109.328 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -52.77 -41.67 64.28 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.074 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.426 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.5 tt0 -57.92 -40.84 81.39 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.277 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.469 ' OE1' ' OD1' ' B' ' 62' ' ' ASP . 94.3 mt-10 -67.41 -37.79 83.61 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.486 0.66 . . . . 0.0 110.375 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -63.47 -45.94 88.47 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.432 HG13 ' HB1' ' A' ' 79' ' ' ALA . 2.7 p -60.43 -39.62 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 119.814 -0.755 . . . . 0.0 110.621 -178.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.435 HG22 ' O ' ' B' ' 73' ' ' GLU . 32.7 m -74.61 -32.94 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.543 178.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.686 HD22 HD11 ' B' ' 33' ' ' LEU . 13.0 tp -56.96 -45.44 82.84 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.279 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.45 -35.11 50.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.268 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.418 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -62.55 -39.02 92.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.307 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.61 -44.04 87.76 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.658 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.9 mt -64.42 -36.4 84.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.733 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.551 HG23 ' CG ' ' A' ' 8' ' ' MET . 57.1 m -52.92 -37.81 61.19 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.765 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.02 -35.59 62.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.411 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.85 94.36 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.369 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.417 ' CE ' HD12 ' A' ' 12' ' ' ILE . 47.3 ttp -58.01 -38.26 75.82 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.11 -40.11 84.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -59.78 -43.67 94.26 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.457 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -65.59 -34.95 79.43 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.136 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -54.02 -39.24 65.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.853 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -54.04 -34.46 60.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.23 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.03 -33.55 67.31 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.523 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -104.85 136.95 43.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.453 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 17.4 p . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.602 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.378 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 m -57.2 -37.03 71.57 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.369 -0.533 . . . . 0.0 110.202 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.54 -42.62 99.1 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.264 -0.575 . . . . 0.0 110.558 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.46 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 38.7 tp -64.07 -39.85 94.98 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.99 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.509 ' OE2' ' O ' ' B' ' 40' ' ' GLU . 97.6 mt-10 -63.75 -39.37 94.12 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.036 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.2 m -64.76 -42.59 95.02 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.603 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.38 87.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.61 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.527 ' CG ' HG23 ' B' ' 82' ' ' THR . 65.3 ttp -62.04 -41.11 97.77 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 120.547 -0.461 . . . . 0.0 112.054 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.77 -29.78 67.04 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.971 0.415 . . . . 0.0 109.998 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.3 m -54.59 -35.86 63.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.378 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.409 ' CD2' HD11 ' B' ' 4' ' ' LEU . 58.2 mt -59.08 -40.66 85.91 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 118.816 -1.154 . . . . 0.0 110.198 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -63.87 -47.32 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.51 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.46 -41.68 97.6 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.542 -0.463 . . . . 0.0 112.219 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.8 m -71.93 -38.23 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.005 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -60.32 -47.49 85.79 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.836 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.476 ' HB3' ' HZ1' ' A' ' 25' ' ' LYS . 7.3 m-70 -61.76 -46.86 87.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.549 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.29 -47.67 75.82 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.159 -0.616 . . . . 0.0 112.022 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -62.57 -47.52 83.49 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.696 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.9 p -65.19 -35.65 81.75 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.263 -0.575 . . . . 0.0 111.202 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.02 -38.41 95.99 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.901 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.48 -41.04 88.88 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -124.1 152.59 42.56 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.963 0.411 . . . . 0.0 111.423 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.29 -163.37 0.14 Allowed Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.6 136.95 47.62 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.378 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HZ1' ' HB3' ' A' ' 16' ' ' HIS . 41.6 tttp -59.65 -37.84 79.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.475 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -65.12 -27.46 68.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.365 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -112.9 143.35 44.33 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.737 0.779 . . . . 0.0 112.257 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -103.95 124.4 48.92 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 114.535 -1.211 . . . . 0.0 107.907 179.232 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.703 ' N ' HD13 ' A' ' 28' ' ' LEU . 86.4 p -104.64 154.57 19.79 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.903 0.383 . . . . 0.0 110.575 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -57.41 -37.6 73.0 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.51 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -55.92 -41.29 74.34 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 118.685 -1.206 . . . . 0.0 108.523 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.52 -38.44 87.21 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 120.126 -0.629 . . . . 0.0 109.716 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.491 ' CD2' ' SD ' ' A' ' 58' ' ' MET . 23.5 tp -65.44 -49.17 70.16 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -60.75 -46.81 89.02 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.279 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.88 -38.47 86.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.638 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.52 HD21 ' OE1' ' A' ' 40' ' ' GLU . 9.9 tt -64.78 -44.23 90.69 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.382 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -69.02 -43.4 74.85 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.954 179.12 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -63.32 -45.44 91.28 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.673 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.9 m -70.34 -42.38 71.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE1' HD21 ' A' ' 36' ' ' LEU . 98.3 mt-10 -74.74 -33.64 62.38 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 41' ' ' LEU . 62.5 mt -97.52 147.11 24.6 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -177.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 44' ' ' PHE . 25.0 m -54.91 -29.56 56.37 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 113.52 -1.673 . . . . 0.0 109.131 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 47' ' ' ALA . . . -45.15 -11.29 0.02 OUTLIER Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.588 ' N ' ' O ' ' A' ' 42' ' ' SER . 53.9 t80 -50.09 -42.81 50.9 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.185 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.2 tp -61.11 -40.6 94.36 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -102.17 8.4 40.63 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' A' ' 43' ' ' GLY . . . -60.66 -30.79 70.11 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.69 ' O ' HG12 ' A' ' 51' ' ' VAL . 92.9 mt-30 -31.21 -101.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 55.6 pttt -58.36 -34.74 71.0 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.303 0.573 . . . . 0.0 110.648 -178.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.07 -32.49 54.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.968 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.728 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.4 p -52.49 -34.62 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.886 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 52.9 p30 -59.54 -33.85 71.91 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.074 -0.651 . . . . 0.0 110.836 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.662 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -58.03 -27.47 63.6 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.668 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.728 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.3 p -54.18 -36.85 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.551 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -65.53 -42.73 91.66 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.793 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.47 -40.4 97.01 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.463 ' O ' HD13 ' A' ' 61' ' ' LEU . 11.8 m -72.4 -32.82 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -177.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.491 ' SD ' ' CD2' ' A' ' 33' ' ' LEU . 92.3 mmm -57.54 -38.29 74.48 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.101 -0.64 . . . . 0.0 112.335 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.33 -46.05 91.87 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.001 -0.68 . . . . 0.0 112.044 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -70.08 -42.26 72.99 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 57' ' ' VAL . 7.0 mp -69.1 -36.83 78.0 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.438 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 53.2 t0 -85.36 109.49 18.44 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.944 -178.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.71 -37.6 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.619 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 66' ' ' ASP . 38.3 p-10 -91.07 7.55 39.9 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' ASN . . . 36.84 26.64 0.01 OUTLIER Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.639 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 55.7 p30 -61.4 -32.2 72.13 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.639 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.56 -5.02 60.13 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 96.5 mt-10 -112.69 151.56 30.06 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.482 HG21 HD22 ' A' ' 33' ' ' LEU . 41.5 t -110.19 133.5 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.475 0.655 . . . . 0.0 110.8 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 56.9 t0 -98.76 152.93 19.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.977 -1.011 . . . . 0.0 108.801 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.447 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 76.3 t80 -50.98 -40.78 58.72 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.271 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.443 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.5 tt0 -58.46 -41.03 84.28 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.941 -0.704 . . . . 0.0 110.14 178.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.425 ' O ' HG22 ' A' ' 76' ' ' VAL . 96.6 mt-10 -68.27 -39.36 82.19 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.484 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.37 -45.33 91.66 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.476 HG13 ' HB1' ' B' ' 79' ' ' ALA . 3.8 p -60.04 -39.05 79.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.784 -178.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.7 m -76.61 -32.89 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.797 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.402 ' C ' HD23 ' A' ' 77' ' ' LEU . 9.6 tt -61.32 -41.32 96.82 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.366 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 m -72.28 -32.31 42.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.481 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -61.75 -36.8 82.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.602 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.8 85.46 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.968 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.3 mp -66.53 -35.43 80.22 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.715 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.528 HG23 ' CG ' ' B' ' 8' ' ' MET . 55.0 m -53.04 -36.17 60.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.304 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.3 t -57.46 -36.89 54.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.085 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.25 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.075 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -56.04 -38.97 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.004 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -60.38 -42.71 96.42 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -63.45 -41.73 98.65 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.756 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -66.09 -35.47 80.61 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.596 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -53.51 -38.85 64.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.957 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.07 -35.11 61.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.439 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.51 -32.69 72.74 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.479 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -100.33 120.22 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.7 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.587 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.314 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -57.25 -36.97 71.63 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.211 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.63 -42.6 99.12 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.472 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.47 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 38.7 tp -64.12 -39.75 94.71 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 120.334 -0.547 . . . . 0.0 109.978 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.496 ' OE2' ' O ' ' A' ' 40' ' ' GLU . 97.6 mt-10 -63.83 -39.33 93.96 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.011 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.7 m -64.8 -42.54 94.95 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.641 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.94 -41.33 87.17 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.661 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.528 ' CG ' HG23 ' A' ' 82' ' ' THR . 65.3 ttp -62.11 -41.1 97.88 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.616 -0.433 . . . . 0.0 112.014 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.79 -29.77 67.07 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.016 0.436 . . . . 0.0 110.041 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -54.56 -35.83 63.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.477 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.413 ' CD2' HD11 ' A' ' 4' ' ' LEU . 57.9 mt -59.12 -40.57 85.82 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.233 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -63.89 -47.43 90.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.499 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.43 -41.59 97.42 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.486 -0.486 . . . . 0.0 112.256 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.8 m -71.91 -38.26 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 119.833 -0.747 . . . . 0.0 110.014 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.31 -47.48 85.86 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.859 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.463 ' HB3' ' HZ1' ' B' ' 25' ' ' LYS . 7.3 m-70 -61.77 -46.88 87.67 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.539 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.24 -47.67 75.96 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.096 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -62.55 -47.61 83.11 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.65 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 85.9 p -65.16 -35.62 81.67 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.236 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.07 -38.24 95.71 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.975 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.59 -41.05 89.4 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -124.16 152.51 42.74 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.063 0.459 . . . . 0.0 111.416 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.27 -163.39 0.13 Allowed Glycine 0 CA--C 1.519 0.339 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.51 136.97 47.79 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.421 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.463 ' HZ1' ' HB3' ' B' ' 16' ' ' HIS . 41.6 tttp -59.61 -37.83 79.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.293 0.568 . . . . 0.0 110.55 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -65.11 -27.46 68.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.343 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -112.96 143.37 44.36 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.684 0.754 . . . . 0.0 112.234 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.689 HD13 ' N ' ' B' ' 29' ' ' SER . 1.0 OUTLIER -103.96 124.39 48.91 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 114.51 -1.223 . . . . 0.0 107.876 179.228 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.689 ' N ' HD13 ' B' ' 28' ' ' LEU . 86.1 p -104.57 154.55 19.79 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.959 0.409 . . . . 0.0 110.601 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -57.4 -37.65 73.05 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.486 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -55.82 -41.43 74.21 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 118.695 -1.202 . . . . 0.0 108.512 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.44 -38.43 87.39 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.717 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.49 ' CD2' ' SD ' ' B' ' 58' ' ' MET . 23.7 tp -65.48 -49.11 70.28 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -60.8 -46.81 89.06 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.263 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.85 -38.45 86.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.669 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.534 HD21 ' OE1' ' B' ' 40' ' ' GLU . 9.8 tt -64.75 -44.2 90.86 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.437 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.438 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -69.11 -43.42 74.51 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.863 179.174 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -63.33 -45.4 91.44 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.705 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.2 m -70.44 -42.37 71.62 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.534 ' OE1' HD21 ' B' ' 36' ' ' LEU . 98.3 mt-10 -74.67 -33.76 62.55 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' B' ' 41' ' ' LEU . 62.4 mt -97.57 147.09 24.64 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -177.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.601 ' O ' ' N ' ' B' ' 44' ' ' PHE . 24.9 m -54.78 -29.7 54.84 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 113.448 -1.706 . . . . 0.0 109.095 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.615 ' O ' ' N ' ' B' ' 47' ' ' ALA . . . -45.14 -11.18 0.02 OUTLIER Glycine 0 CA--C 1.522 0.52 0 N-CA-C 109.974 -1.25 . . . . 0.0 109.974 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.601 ' N ' ' O ' ' B' ' 42' ' ' SER . 53.7 t80 -50.13 -42.9 51.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.01 -40.66 94.41 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.215 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -102.17 8.41 40.64 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.244 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.615 ' N ' ' O ' ' B' ' 43' ' ' GLY . . . -60.6 -30.84 70.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -177.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.713 ' O ' HG12 ' B' ' 51' ' ' VAL . 92.9 mt-30 -31.05 -101.79 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 55.6 pttt -58.33 -34.78 71.0 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.334 0.588 . . . . 0.0 110.66 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.06 -32.47 54.7 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.975 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.72 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.4 p -52.48 -34.74 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.812 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.661 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 52.8 p30 -59.52 -33.84 71.88 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.804 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.661 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -58.04 -27.5 63.63 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.72 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.2 p -54.09 -36.88 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.549 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -65.61 -42.69 91.29 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 119.584 -0.846 . . . . 0.0 110.764 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.53 -40.36 96.81 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.471 ' O ' HD13 ' B' ' 61' ' ' LEU . 12.0 m -72.42 -32.71 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.49 ' SD ' ' CD2' ' B' ' 33' ' ' LEU . 92.4 mmm -57.53 -38.39 74.61 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.328 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.33 -46.01 92.05 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.946 -0.702 . . . . 0.0 112.076 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -70.1 -42.3 72.88 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.471 HD13 ' O ' ' B' ' 57' ' ' VAL . 7.0 mp -68.96 -36.9 78.44 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.429 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 53.2 t0 -85.29 109.41 18.34 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.384 -0.926 . . . . 0.0 110.954 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.81 -37.43 86.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.638 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.555 ' O ' ' N ' ' B' ' 66' ' ' ASP . 38.4 p-10 -91.13 7.54 40.06 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' B' ' 64' ' ' ASN . . . 36.88 26.58 0.01 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.643 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 55.3 p30 -61.43 -32.18 72.14 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.643 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.62 -5.0 60.0 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -178.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 96.5 mt-10 -112.77 151.56 30.18 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.482 HG21 HD22 ' B' ' 33' ' ' LEU . 41.9 t -110.18 133.51 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.431 0.634 . . . . 0.0 110.766 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 56.8 t0 -98.77 152.87 19.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.827 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.449 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 76.8 t80 -50.95 -40.8 58.31 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.439 -0.904 . . . . 0.0 109.246 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.432 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.5 tt0 -58.43 -41.09 84.29 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.09 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.423 ' O ' HG22 ' B' ' 76' ' ' VAL . 96.6 mt-10 -68.19 -39.46 82.5 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.47 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.41 -45.2 92.09 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.481 HG13 ' HB1' ' A' ' 79' ' ' ALA . 3.7 p -60.08 -39.1 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.779 -178.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 73' ' ' GLU . 32.7 m -76.5 -32.98 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.35 -0.54 . . . . 0.0 109.808 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.404 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.6 tt -61.28 -41.29 96.7 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.485 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 m -72.21 -32.37 42.77 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 C-N-CA 120.214 -0.595 . . . . 0.0 111.095 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.476 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -61.82 -36.71 81.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.561 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.71 -45.75 85.22 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.895 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.498 ' H ' HD12 ' B' ' 81' ' ' LEU . 6.3 mp -66.47 -35.54 80.53 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.666 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.527 HG23 ' CG ' ' A' ' 8' ' ' MET . 55.0 m -53.03 -36.07 60.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.387 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.0 t -57.42 -36.96 55.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.171 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.32 73.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -55.93 -39.01 71.06 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.964 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -60.32 -42.67 96.09 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.914 -0.714 . . . . 0.0 109.1 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -63.57 -41.61 98.38 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.771 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -66.11 -35.52 80.71 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.599 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -53.47 -38.8 63.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.05 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.11 -35.08 61.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.505 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.48 -32.7 72.72 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.482 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.31 120.18 39.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.555 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 34.8 t . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.528 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 40' ' ' GLU . 39.5 t -107.52 138.22 44.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.661 0.267 . . . . 0.0 110.673 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.86 -38.12 89.58 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.196 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.54 -41.85 97.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.784 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.93 -41.49 91.29 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.775 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -61.67 -43.5 98.75 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.79 -40.06 83.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.241 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.628 ' CG ' HG23 ' B' ' 82' ' ' THR . 64.9 ttp -62.03 -43.38 98.96 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.59 -31.05 67.69 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 120.964 0.411 . . . . 0.0 110.138 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -55.79 -36.46 67.42 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.401 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.3 -41.85 97.67 Favored 'General case' 0 C--N 1.343 0.326 0 C-N-CA 118.813 -1.155 . . . . 0.0 110.547 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.494 HD12 ' CE ' ' B' ' 85' ' ' MET . 76.6 mt -65.89 -43.59 92.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.147 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -61.03 -41.5 96.69 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.199 -0.601 . . . . 0.0 111.979 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 m -74.77 -39.05 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.965 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -64.18 -51.25 64.7 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.41 0.624 . . . . 0.0 110.528 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.475 ' NE2' ' CE ' ' A' ' 25' ' ' LYS . 81.7 t60 -64.03 -47.52 79.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.642 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.2 95.43 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.14 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.592 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 83.7 t60 -62.76 -46.27 88.81 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.701 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -60.32 -41.11 92.81 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.337 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.32 -39.79 98.22 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.734 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.1 -42.21 94.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.519 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -129.07 149.65 50.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.833 0.349 . . . . 0.0 111.634 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.54 -158.1 32.51 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -74.29 133.8 42.6 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' CE ' ' NE2' ' A' ' 16' ' ' HIS . 27.1 tttt -60.94 -40.48 93.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.23 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -66.24 -32.89 74.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.442 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -120.52 145.64 47.1 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -108.73 133.46 52.78 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.113 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -103.15 152.35 21.54 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' NZ ' ' CG ' ' A' ' 58' ' ' MET . 46.8 tttp -56.1 -37.24 69.11 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 118.938 -1.105 . . . . 0.0 110.529 -178.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.37 -40.89 71.88 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 118.863 -1.135 . . . . 0.0 108.09 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.592 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 96.3 mt-10 -67.66 -39.05 84.56 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.81 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.3 tp -64.58 -45.07 88.58 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -59.68 -47.21 86.54 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 119.629 -0.828 . . . . 0.0 111.341 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -65.14 -41.37 94.84 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.418 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.429 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 24.9 tp -62.17 -55.62 26.86 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.0 tp -69.13 -41.73 76.95 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.743 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -64.33 -41.52 96.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.998 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.3 m -69.25 -43.66 73.52 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' B' ' 2' ' ' SER . 76.9 mm-40 -75.33 -32.24 60.86 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.591 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.3 tp -100.85 138.06 38.41 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.578 0.704 . . . . 0.0 112.393 -177.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.604 ' O ' ' N ' ' A' ' 44' ' ' PHE . 25.7 m -51.28 -27.99 10.79 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.283 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.591 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -43.91 -10.86 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.604 ' N ' ' O ' ' A' ' 42' ' ' SER . 66.6 t80 -47.33 -35.55 8.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.9 tp -53.77 -34.9 60.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.605 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.52 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 43.1 p30 -79.26 11.19 3.02 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.96 0.409 . . . . 0.0 110.244 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -58.68 -23.45 59.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.524 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.669 ' O ' HG12 ' A' ' 51' ' ' VAL . 93.7 mt-30 -54.35 -155.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.812 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -56.67 -28.52 60.87 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.92 -33.99 62.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.198 0.523 . . . . 0.0 109.782 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 48' ' ' GLN . 5.9 p -52.47 -28.64 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.352 -179.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -53.4 -35.21 60.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.836 0.35 . . . . 0.0 110.692 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.69 -27.95 59.9 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.062 0.458 . . . . 0.0 110.232 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.9 p -52.41 -37.9 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -65.62 -41.45 92.69 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.571 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -62.56 -39.67 94.39 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 54' ' ' VAL . 16.3 m -71.03 -30.45 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 120.184 -0.606 . . . . 0.0 112.572 -178.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.476 ' CG ' ' NZ ' ' A' ' 30' ' ' LYS . 95.1 mmm -56.43 -38.07 71.07 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.83 -43.27 98.48 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.664 -0.814 . . . . 0.0 111.543 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.06 -41.25 74.43 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.497 -0.481 . . . . 0.0 112.141 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.26 -36.55 81.81 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.512 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 50.3 t0 -84.61 103.84 14.08 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.819 -0.752 . . . . 0.0 111.194 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.69 -37.41 84.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.499 0.666 . . . . 0.0 109.629 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -58.75 -37.76 76.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.9 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.25 5.15 87.35 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 107.819 -2.112 . . . . 0.0 107.819 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.642 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 49.2 p30 -63.85 -32.94 74.63 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 114.127 -1.036 . . . . 0.0 112.502 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.642 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.88 -2.01 61.64 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.41 ' N ' ' OE1' ' A' ' 68' ' ' GLU . 59.0 mp0 -109.55 154.36 22.83 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -106.29 132.92 52.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.689 0.757 . . . . 0.0 112.164 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -102.24 160.64 14.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.299 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -52.39 -43.29 64.67 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.085 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.81 -41.48 91.34 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.221 -0.591 . . . . 0.0 110.385 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.12 -37.58 86.07 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.124 0.488 . . . . 0.0 110.547 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.423 ' O ' HG13 ' A' ' 78' ' ' VAL . 79.1 t80 -63.27 -42.88 99.16 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 121.524 0.678 . . . . 0.0 111.394 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.736 ' CG1' ' HB1' ' B' ' 79' ' ' ALA . 0.9 OUTLIER -62.12 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.328 -179.053 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.9 m -72.09 -33.11 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.795 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.461 HD23 ' C ' ' A' ' 77' ' ' LEU . 10.1 tt -61.19 -42.72 99.09 Favored 'General case' 0 CA--C 1.527 0.078 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.458 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 74' ' ' TYR . 22.9 m -72.41 -31.14 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.373 0.606 . . . . 0.0 111.355 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.734 ' HB1' ' CG1' ' B' ' 75' ' ' VAL . . . -59.24 -40.59 86.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.217 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.41 96.65 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.669 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.505 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.4 mp -65.4 -36.55 84.3 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.382 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.626 HG23 ' CG ' ' B' ' 8' ' ' MET . 44.2 m -53.11 -37.59 61.88 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.38 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.53 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 75.0 t -59.9 -36.24 65.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.603 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.83 72.94 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.494 ' HE1' HD12 ' B' ' 12' ' ' ILE . 2.6 ttp -56.82 -38.22 72.3 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 119.468 -0.893 . . . . 0.0 110.566 -178.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.69 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 31.4 p-10 -63.61 -40.04 95.9 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 118.975 -1.09 . . . . 0.0 110.252 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.69 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 20.6 t-20 -62.86 -45.5 92.29 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.021 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.95 -48.99 66.87 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.824 0.821 . . . . 0.0 110.846 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -55.69 -38.51 69.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.027 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -53.86 -33.67 57.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.708 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.21 -33.42 67.49 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.449 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -100.44 120.35 39.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.504 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.534 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 39.2 t -107.49 138.21 44.11 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.711 0.291 . . . . 0.0 110.698 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.97 -38.06 89.6 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.167 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.57 -41.81 97.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.709 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.94 -41.61 91.09 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.743 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -61.64 -43.4 98.94 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.88 -40.06 83.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.227 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.626 ' CG ' HG23 ' A' ' 82' ' ' THR . 64.9 ttp -62.0 -43.38 98.96 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.55 -31.05 67.61 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 120.96 0.409 . . . . 0.0 110.178 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 34.8 m -55.9 -36.4 67.64 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.388 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.23 -41.99 97.83 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 118.877 -1.129 . . . . 0.0 110.498 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.494 HD12 ' HE1' ' A' ' 85' ' ' MET . 76.5 mt -65.73 -43.65 93.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.195 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -61.04 -41.6 96.89 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.87 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.7 m -74.78 -39.08 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -64.14 -51.18 65.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.367 0.604 . . . . 0.0 110.56 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.476 ' NE2' ' CE ' ' B' ' 25' ' ' LYS . 81.7 t60 -64.06 -47.51 79.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.615 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.29 -43.22 95.43 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.104 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.588 ' NE2' ' O ' ' B' ' 32' ' ' GLU . 83.8 t60 -62.83 -46.35 88.35 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.634 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -60.25 -41.06 92.38 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.387 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.38 -39.82 98.21 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.714 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.97 -42.26 93.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.523 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -129.11 149.59 50.86 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.642 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.63 -158.06 32.96 Favored Glycine 0 CA--C 1.518 0.276 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 178.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -74.35 133.84 42.52 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.476 ' CE ' ' NE2' ' B' ' 16' ' ' HIS . 27.2 tttt -60.97 -40.47 93.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.172 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -66.14 -33.04 74.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.453 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -120.43 145.68 46.98 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.584 0.707 . . . . 0.0 112.718 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tt -108.73 133.45 52.79 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.137 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -103.21 152.31 21.62 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.475 ' NZ ' ' CG ' ' B' ' 58' ' ' MET . 46.8 tttp -56.17 -37.2 69.24 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 118.916 -1.114 . . . . 0.0 110.423 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.36 -40.92 71.87 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 118.844 -1.143 . . . . 0.0 108.088 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.588 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 96.3 mt-10 -67.53 -39.15 85.07 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.823 177.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 37.4 tp -64.61 -45.0 88.77 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -59.68 -47.3 86.18 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.346 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -65.02 -41.43 95.31 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.441 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.432 ' HB2' ' CD2' ' B' ' 18' ' ' HIS . 25.1 tp -62.12 -55.67 26.48 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.4 HD21 HD22 ' B' ' 81' ' ' LEU . 33.8 tp -69.12 -41.67 77.08 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.788 -177.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -64.3 -41.58 96.79 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.983 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.1 m -69.33 -43.47 73.65 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 2' ' ' SER . 77.0 mm-40 -75.41 -32.21 60.67 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -178.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.595 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.3 tp -100.84 138.12 38.32 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.575 0.703 . . . . 0.0 112.361 -177.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.613 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.4 m -51.31 -28.0 10.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.32 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.595 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -43.85 -10.89 0.01 OUTLIER Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.613 ' N ' ' O ' ' B' ' 42' ' ' SER . 66.5 t80 -47.35 -35.53 8.26 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -53.74 -34.98 60.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.601 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.513 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 42.9 p30 -79.23 11.22 2.98 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.012 0.434 . . . . 0.0 110.279 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -58.66 -23.44 59.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.584 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.672 ' O ' HG12 ' B' ' 51' ' ' VAL . 93.7 mt-30 -54.33 -155.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.791 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -56.73 -28.53 61.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.879 -179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.93 -34.03 62.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.14 0.495 . . . . 0.0 109.751 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.672 HG12 ' O ' ' B' ' 48' ' ' GLN . 5.9 p -52.35 -28.69 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.4 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -53.4 -35.26 60.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.762 0.315 . . . . 0.0 110.682 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.65 -27.92 59.53 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.108 0.48 . . . . 0.0 110.266 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.598 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.0 p -52.51 -37.81 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -65.63 -41.49 92.6 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.529 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -62.47 -39.69 94.25 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 54' ' ' VAL . 16.1 m -71.04 -30.49 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.475 ' CG ' ' NZ ' ' B' ' 30' ' ' LYS . 95.2 mmm -56.33 -38.09 70.85 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.97 -43.17 99.17 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.502 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.99 -41.2 74.7 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.549 -0.46 . . . . 0.0 112.203 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.36 -36.57 81.67 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.518 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 50.2 t0 -84.52 103.8 13.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.802 -0.759 . . . . 0.0 111.247 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.67 -37.44 84.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.443 0.64 . . . . 0.0 109.639 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -58.68 -37.77 76.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.965 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.28 5.18 87.42 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 107.772 -2.131 . . . . 0.0 107.772 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.644 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 49.1 p30 -63.85 -33.0 74.72 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.124 -1.038 . . . . 0.0 112.459 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.644 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.83 -1.95 61.71 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' B' ' 68' ' ' GLU . 59.0 mp0 -109.49 154.42 22.7 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -106.39 132.92 52.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.717 0.77 . . . . 0.0 112.094 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -102.25 160.67 14.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.287 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -52.4 -43.3 64.69 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.045 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.73 -41.58 91.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.36 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -66.12 -37.53 85.95 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.589 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.427 ' O ' HG13 ' B' ' 78' ' ' VAL . 78.8 t80 -63.21 -42.99 99.38 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.423 0.63 . . . . 0.0 111.398 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.734 ' CG1' ' HB1' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -62.12 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.348 -179.02 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 24.4 m -72.05 -33.21 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.817 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.459 HD23 ' C ' ' B' ' 77' ' ' LEU . 10.1 tt -61.14 -42.76 99.13 Favored 'General case' 0 CA--C 1.526 0.04 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.52 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.427 HG13 ' O ' ' B' ' 74' ' ' TYR . 22.7 m -72.36 -31.15 37.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.397 0.618 . . . . 0.0 111.42 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.736 ' HB1' ' CG1' ' A' ' 75' ' ' VAL . . . -59.21 -40.59 86.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.155 -178.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.43 96.47 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.561 -0.855 . . . . 0.0 110.585 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.511 ' H ' HD12 ' B' ' 81' ' ' LEU . 6.4 mp -65.36 -36.59 84.48 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.394 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.628 HG23 ' CG ' ' A' ' 8' ' ' MET . 43.8 m -53.03 -37.65 61.73 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.364 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.528 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 75.5 t -59.93 -36.22 65.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.566 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.9 -31.8 72.94 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.494 ' CE ' HD12 ' A' ' 12' ' ' ILE . 2.6 ttp -56.84 -38.13 72.23 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 119.47 -0.892 . . . . 0.0 110.582 -178.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.688 ' OD1' ' N ' ' B' ' 87' ' ' ASN . 31.6 p-10 -63.72 -39.99 95.67 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.078 -1.049 . . . . 0.0 110.205 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.688 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 20.5 t-20 -62.9 -45.55 91.99 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.96 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -66.81 -49.08 66.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.859 0.838 . . . . 0.0 110.919 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -55.64 -38.45 69.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.121 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -53.86 -33.75 57.32 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.722 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.14 -33.39 67.35 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.426 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -100.58 120.41 40.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.487 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 m -62.67 155.57 25.94 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.937 0.398 . . . . 0.0 110.446 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.95 -35.85 75.84 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.075 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.403 ' CD1' ' CD2' ' B' ' 11' ' ' LEU . 39.5 tp -62.77 -41.78 99.39 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 119.996 -0.681 . . . . 0.0 110.013 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.01 -41.49 98.13 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.6 m -64.38 -38.85 92.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.277 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -63.9 -43.51 95.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.635 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.532 ' HB2' HG23 ' B' ' 82' ' ' THR . 11.6 ptp -62.65 -38.87 91.98 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.393 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -56.93 -32.64 66.17 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.941 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.596 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 64.4 p -63.71 -31.89 73.21 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.504 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.523 HD12 HG21 ' B' ' 82' ' ' THR . 52.3 mt -63.44 -42.33 98.68 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.948 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -64.81 -48.04 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.05 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -60.25 -43.24 96.28 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 10' ' ' THR . 13.7 m -72.39 -37.37 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.78 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -61.85 -53.16 59.67 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.6 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -64.29 -46.45 83.59 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -50.81 63.31 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 119.674 -0.811 . . . . 0.0 112.129 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.682 ' CG ' HD13 ' A' ' 36' ' ' LEU . 74.3 m80 -65.06 -49.24 70.85 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.153 -0.619 . . . . 0.0 112.103 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.9 p -65.91 -33.76 76.57 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.09 -38.04 94.87 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.767 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.61 -40.53 83.54 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -124.77 149.36 47.42 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.78 -167.77 44.72 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.2 138.72 45.81 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -60.44 -38.38 83.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.151 0.501 . . . . 0.0 110.524 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -66.84 -32.44 73.71 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -117.21 145.99 43.54 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -106.04 129.62 54.12 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.8 m -104.59 157.04 17.44 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.167 0.508 . . . . 0.0 111.985 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HZ1' HG13 ' A' ' 54' ' ' VAL . 7.5 tptp -54.55 -41.8 70.22 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.598 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.86 -40.87 90.08 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.198 -1.001 . . . . 0.0 109.705 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.84 -39.15 93.11 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.229 0.538 . . . . 0.0 109.947 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' CD2' ' SD ' ' A' ' 58' ' ' MET . 24.1 tp -63.47 -42.77 98.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.741 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -61.13 -45.41 94.8 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.143 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.86 -41.64 86.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.945 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.682 HD13 ' CG ' ' A' ' 18' ' ' HIS . 52.3 tp -65.86 -49.1 69.33 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 119.956 -0.698 . . . . 0.0 112.425 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 2.5 mm? -69.95 -41.08 75.03 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 119.714 -0.794 . . . . 0.0 112.018 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.64 -43.15 97.62 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.749 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.72 -42.73 73.61 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.667 ' OE2' HD11 ' A' ' 36' ' ' LEU . 98.0 mt-10 -73.84 -31.98 63.46 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.495 HD11 HD13 ' A' ' 81' ' ' LEU . 68.3 mt -94.1 146.81 23.7 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 122.346 1.069 . . . . 0.0 113.83 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' PHE . 87.1 p -57.88 -25.4 60.71 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 113.778 -1.556 . . . . 0.0 109.228 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 47' ' ' ALA . . . -46.92 -13.1 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 42' ' ' SER . 63.1 t80 -51.32 -44.36 61.95 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.01 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.9 tp -63.34 -39.11 93.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.113 0.482 . . . . 0.0 110.907 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -98.32 15.79 23.53 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.412 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.597 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -55.05 -30.63 60.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -177.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.603 ' O ' HG12 ' A' ' 51' ' ' VAL . 93.5 mt-30 -32.65 -111.13 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -178.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -57.66 -31.49 66.37 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.921 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -53.25 -33.83 54.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.026 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.721 ' O ' HG12 ' A' ' 54' ' ' VAL . 7.3 p -52.44 -36.76 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.451 -179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -57.13 -36.89 71.24 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.085 0.469 . . . . 0.0 110.687 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.99 -28.11 64.1 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.171 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 51' ' ' VAL . 3.6 p -54.82 -36.76 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 C-N-CA 119.357 -0.937 . . . . 0.0 109.073 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -65.63 -42.66 91.23 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.927 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.48 -40.81 98.09 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 m -72.7 -34.11 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.453 ' SD ' ' CD2' ' A' ' 33' ' ' LEU . 94.2 mmm -59.7 -37.82 79.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -179.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -60.3 -43.47 96.29 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.944 -0.703 . . . . 0.0 112.27 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.64 -41.23 75.87 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.142 -0.623 . . . . 0.0 112.111 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.92 -37.52 81.76 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.501 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 52.1 t0 -85.14 100.16 11.55 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.479 -0.888 . . . . 0.0 110.941 -179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -68.54 -35.96 78.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.33 0.586 . . . . 0.0 109.979 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -59.15 -38.59 80.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.784 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.06 3.43 90.58 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 107.906 -2.078 . . . . 0.0 107.906 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.7 p30 -63.46 -33.82 76.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 114.181 -1.009 . . . . 0.0 112.729 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.653 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.91 -0.63 64.72 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.97 149.9 28.54 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.435 HG13 ' HB2' ' A' ' 73' ' ' GLU . 38.4 t -112.99 132.62 61.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.218 0.532 . . . . 0.0 111.065 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 47.5 p30 -106.15 171.03 7.57 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -53.86 -42.14 68.23 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.841 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.483 ' O ' HG12 ' A' ' 75' ' ' VAL . 51.1 tt0 -59.15 -42.39 90.58 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.842 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 76' ' ' VAL . 95.4 mt-10 -68.57 -38.08 80.42 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.476 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -63.25 -44.41 95.28 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.2 p -59.89 -39.22 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.07 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.858 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 73' ' ' GLU . 31.9 m -76.42 -33.18 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.889 178.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.11 -42.32 94.48 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.468 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.5 m -73.34 -32.23 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.04 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.71 94.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.735 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.22 92.96 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.245 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.554 ' CD1' HD12 ' A' ' 37' ' ' LEU . 75.0 mt -64.95 -36.8 85.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.554 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.526 HG23 ' HB2' ' B' ' 8' ' ' MET . 48.6 m -54.61 -36.82 64.87 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.111 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.84 -35.09 54.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.045 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.26 80.39 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.503 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.2 ttt -60.0 -39.44 85.79 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.378 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -58.23 -42.07 85.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.1 -41.84 97.4 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.375 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.8 -41.59 95.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.463 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -53.81 -39.4 65.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.062 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -54.42 -34.7 61.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.076 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.63 -33.21 68.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.507 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -99.68 120.51 39.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.524 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.602 179.896 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.4 m -62.69 155.63 25.85 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 120.899 0.381 . . . . 0.0 110.503 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.94 -35.93 75.99 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.041 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 39.5 tp -62.77 -41.74 99.37 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.049 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.99 -41.54 98.15 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.5 m -64.37 -38.97 92.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.267 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.596 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -63.8 -43.36 96.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.643 -178.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.526 ' HB2' HG23 ' A' ' 82' ' ' THR . 11.4 ptp -62.82 -38.84 92.32 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.316 -178.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.03 -32.55 66.29 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.95 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.605 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 66.5 p -63.72 -31.87 73.17 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.551 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.525 HD12 HG21 ' A' ' 82' ' ' THR . 52.0 mt -63.38 -42.35 98.83 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.963 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.7 mt -64.94 -47.93 86.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.065 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -60.28 -43.23 96.41 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.5 HG13 ' O ' ' B' ' 10' ' ' THR . 13.7 m -72.47 -37.3 56.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.754 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -61.89 -53.15 59.81 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.566 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -64.27 -46.55 83.21 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.73 -50.84 63.36 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 119.742 -0.783 . . . . 0.0 111.991 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.691 ' CG ' HD13 ' B' ' 36' ' ' LEU . 74.3 m80 -65.05 -49.21 70.98 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.143 -0.623 . . . . 0.0 112.167 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 85.8 p -65.93 -33.7 76.42 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.19 -37.98 94.67 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.719 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.5 -40.83 83.89 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.894 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -124.6 149.35 47.14 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.009 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.68 -167.78 44.34 Favored Glycine 0 CA--C 1.518 0.279 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.1 138.71 45.98 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -60.45 -38.39 84.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.136 0.493 . . . . 0.0 110.52 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -66.92 -32.28 73.43 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -117.41 146.1 43.67 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -106.11 129.58 54.17 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.6 m -104.53 157.03 17.45 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.261 0.553 . . . . 0.0 111.92 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.416 ' HZ1' HG13 ' B' ' 54' ' ' VAL . 7.5 tptp -54.61 -41.75 70.33 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.627 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.97 -40.77 90.2 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.697 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.76 -39.19 93.21 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.287 0.565 . . . . 0.0 109.999 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.456 ' CD2' ' SD ' ' B' ' 58' ' ' MET . 24.1 tp -63.47 -42.68 98.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.806 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -61.14 -45.47 94.53 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.116 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.83 -41.59 87.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.013 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.691 HD13 ' CG ' ' B' ' 18' ' ' HIS . 52.2 tp -65.91 -49.13 69.09 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 119.963 -0.695 . . . . 0.0 112.447 -178.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 2.5 mm? -69.91 -41.08 75.15 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 119.758 -0.777 . . . . 0.0 112.043 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.68 -43.1 97.64 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.708 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.2 m -69.73 -42.82 73.47 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.665 ' OE2' HD11 ' B' ' 36' ' ' LEU . 98.0 mt-10 -73.78 -32.1 63.61 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.505 HD11 HD13 ' B' ' 81' ' ' LEU . 68.6 mt -93.94 146.91 23.58 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 122.43 1.11 . . . . 0.0 113.79 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.526 ' O ' ' N ' ' B' ' 44' ' ' PHE . 87.0 p -57.93 -25.51 61.01 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 113.84 -1.527 . . . . 0.0 109.246 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' B' ' 47' ' ' ALA . . . -46.84 -13.05 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' B' ' 42' ' ' SER . 63.3 t80 -51.32 -44.43 61.96 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 120.241 -0.584 . . . . 0.0 109.962 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 27.8 tp -63.32 -39.08 93.56 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.149 0.5 . . . . 0.0 110.938 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -98.29 15.76 23.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.401 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.598 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -55.1 -30.57 59.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.598 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.6 mt-30 -32.74 -111.09 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -57.63 -31.5 66.33 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.952 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -53.37 -33.74 54.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.0 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.718 ' O ' HG12 ' B' ' 54' ' ' VAL . 7.2 p -52.54 -36.71 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.414 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -57.12 -36.87 71.18 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.751 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.11 -27.91 64.14 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.176 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.718 HG12 ' O ' ' B' ' 51' ' ' VAL . 3.6 p -54.91 -36.78 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 C-N-CA 119.421 -0.911 . . . . 0.0 108.987 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -65.7 -42.63 90.96 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 119.874 -0.731 . . . . 0.0 110.936 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.53 -40.82 98.02 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 m -72.58 -34.09 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.456 ' SD ' ' CD2' ' B' ' 33' ' ' LEU . 94.3 mmm -59.63 -37.83 79.71 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -60.34 -43.44 96.44 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.27 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.64 -41.25 75.84 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.148 -0.621 . . . . 0.0 112.095 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.78 -37.73 82.44 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.512 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 52.0 t0 -85.04 100.18 11.51 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.987 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -68.56 -36.06 78.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.303 0.573 . . . . 0.0 109.938 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -59.0 -38.68 79.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.75 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.1 3.46 90.56 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.0 p30 -63.55 -33.8 76.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.194 -1.003 . . . . 0.0 112.654 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.645 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.92 -0.65 64.72 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.89 149.94 28.42 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.438 HG13 ' HB2' ' B' ' 73' ' ' GLU . 38.6 t -113.07 132.46 61.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.224 0.535 . . . . 0.0 111.049 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.439 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 47.5 p30 -106.05 170.99 7.58 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 177.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -53.8 -42.03 67.93 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.864 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.484 ' O ' HG12 ' B' ' 75' ' ' VAL . 51.0 tt0 -59.26 -42.41 91.08 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.764 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.445 ' O ' HG22 ' B' ' 76' ' ' VAL . 95.4 mt-10 -68.52 -38.13 80.63 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.487 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -63.23 -44.46 95.19 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.484 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.2 p -59.8 -39.22 79.26 Favored 'Isoleucine or valine' 0 C--O 1.23 0.071 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.934 -178.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.445 HG22 ' O ' ' B' ' 73' ' ' GLU . 31.3 m -76.36 -33.23 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.008 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.1 -42.27 94.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.478 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -73.35 -32.3 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.006 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.72 94.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.708 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.13 -43.08 93.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.271 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.554 ' CD1' HD12 ' B' ' 37' ' ' LEU . 75.5 mt -65.01 -36.81 85.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.502 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.532 HG23 ' HB2' ' A' ' 8' ' ' MET . 47.0 m -54.69 -36.79 65.05 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.065 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.86 -35.08 54.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.031 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.33 80.31 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.503 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 25.2 ttt -60.05 -39.44 85.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.334 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -58.26 -42.08 85.65 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.324 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.02 -41.87 97.37 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.367 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -60.77 -41.62 95.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.47 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -53.8 -39.41 65.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.047 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -54.43 -34.67 61.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.083 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.65 -33.18 68.04 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -99.63 120.43 39.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.623 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.541 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.635 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.491 ' OG ' ' CG ' ' B' ' 40' ' ' GLU . 32.9 t -107.4 141.87 38.12 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.79 0.328 . . . . 0.0 110.592 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.69 -36.99 80.15 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.933 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.9 tp -61.23 -42.04 97.92 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.172 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.73 -42.19 91.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.526 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.5 m -63.26 -42.82 99.21 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.122 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.56 -39.87 84.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.06 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.595 ' CG ' HG23 ' B' ' 82' ' ' THR . 60.8 ttp -61.05 -42.04 97.74 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.06 -31.27 66.89 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.07 0.462 . . . . 0.0 110.06 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.401 ' O ' HG13 ' A' ' 14' ' ' VAL . 35.1 m -56.3 -35.83 67.96 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.843 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.6 mt -59.6 -42.37 92.41 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 118.997 -1.081 . . . . 0.0 111.159 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.1 mt -65.96 -46.35 88.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.228 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -61.65 -41.63 97.79 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.585 -0.446 . . . . 0.0 112.16 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.432 ' C ' ' HD1' ' A' ' 18' ' ' HIS . 16.3 m -73.04 -38.5 55.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.364 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -60.84 -46.85 88.95 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.677 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.81 -48.0 78.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.994 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.19 -51.21 56.35 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.006 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.624 ' CG ' HD13 ' A' ' 36' ' ' LEU . 75.5 m80 -61.51 -46.37 90.26 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 t -61.49 -40.6 95.17 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.35 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.9 -36.26 93.06 Favored Glycine 0 CA--C 1.522 0.529 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.556 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.44 -41.68 85.62 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.492 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -129.66 144.74 51.42 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.608 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.54 -163.75 54.78 Favored Glycine 0 C--N 1.331 0.298 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.42 137.37 48.25 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -61.83 -38.82 89.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.071 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -66.41 -34.18 77.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.67 147.18 48.71 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -106.68 125.6 51.21 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.677 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.6 p -87.06 159.08 19.06 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.797 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -57.81 -39.32 77.29 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.147 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -59.33 -42.03 90.5 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.476 -0.89 . . . . 0.0 109.818 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.492 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 98.0 mt-10 -65.65 -38.73 90.17 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 109.735 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.1 tp -62.82 -42.14 99.6 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.588 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.14 -43.22 99.23 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.451 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.65 -40.16 94.95 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.653 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.624 HD13 ' CG ' ' A' ' 18' ' ' HIS . 30.2 tp -62.69 -48.03 81.04 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.961 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.647 HD13 ' CD1' ' A' ' 81' ' ' LEU . 59.9 mt -68.39 -36.9 79.82 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.922 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.57 -44.54 96.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.587 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.5 m -80.76 -53.62 6.34 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.588 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 49.5 mp0 -76.6 -27.47 55.78 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.712 ' CD1' ' H ' ' A' ' 43' ' ' GLY . 0.4 OUTLIER -88.85 125.45 34.93 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 119.486 -0.885 . . . . 0.0 110.565 -177.011 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.578 ' O ' ' N ' ' A' ' 44' ' ' PHE . 23.7 m -55.66 -32.77 63.51 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.858 -179.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.712 ' H ' ' CD1' ' A' ' 41' ' ' LEU . . . -45.24 -13.11 0.04 OUTLIER Glycine 0 CA--C 1.52 0.397 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.578 ' N ' ' O ' ' A' ' 42' ' ' SER . 78.5 t80 -50.16 -42.97 51.95 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.914 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.67 -36.95 82.33 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.557 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 58.8 t0 -104.58 13.83 30.96 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.875 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.923 ' HB1' ' CG2' ' A' ' 51' ' ' VAL . . . -58.47 -41.25 84.81 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.59 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.598 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.8 mt-30 28.39 -158.95 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.637 0.732 . . . . 0.0 112.329 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -58.18 -22.16 50.36 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.832 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -51.6 -32.76 29.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.048 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.923 ' CG2' ' HB1' ' A' ' 47' ' ' ALA . 48.0 t -52.06 -38.95 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 C-N-CA 119.819 -0.752 . . . . 0.0 110.336 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -54.67 -35.71 63.85 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.016 0.436 . . . . 0.0 110.639 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.15 -27.61 62.02 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.169 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.0 p -52.1 -37.13 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -65.98 -43.35 88.1 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.107 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.52 -41.32 98.78 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.8 m -73.09 -29.59 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.338 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.9 ttt -54.9 -39.62 68.96 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.937 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.88 -42.45 93.79 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.42 -41.25 93.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.562 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.6 mt -66.99 -38.37 85.9 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.538 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 53.1 t0 -89.56 108.14 19.49 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.694 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.62 -34.64 77.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.26 0.552 . . . . 0.0 109.989 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -58.44 -39.45 79.87 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.294 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.48 6.75 84.68 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 108.241 -1.944 . . . . 0.0 108.241 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.658 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 48.8 p30 -63.31 -33.28 75.18 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 114.381 -0.91 . . . . 0.0 112.866 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.658 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.75 -3.64 62.98 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.43 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 95.9 mt-10 -114.77 155.64 26.33 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.16 153.54 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-O 121.679 0.752 . . . . 0.0 111.915 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 50.5 p30 -117.54 177.49 4.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.36 -1.291 . . . . 0.0 108.474 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -54.16 -42.65 69.82 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.949 -0.701 . . . . 0.0 110.771 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.458 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.9 tt0 -59.58 -43.11 93.73 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 120.323 -0.551 . . . . 0.0 112.001 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -69.57 -37.68 77.09 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.697 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.431 ' O ' HG13 ' A' ' 78' ' ' VAL . 71.3 t80 -62.24 -45.83 91.56 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.6 p -60.95 -39.77 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.021 -0.672 . . . . 0.0 111.42 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 m -76.43 -34.26 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 120.049 -0.661 . . . . 0.0 110.34 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.409 HD23 ' C ' ' A' ' 77' ' ' LEU . 9.5 tt -61.75 -41.89 98.27 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.779 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 74' ' ' TYR . 12.8 m -73.12 -33.0 41.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.364 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.29 88.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.019 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.92 96.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.954 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.647 ' CD1' HD13 ' A' ' 37' ' ' LEU . 67.9 mt -64.29 -36.65 84.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.15 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.602 HG23 ' CG ' ' B' ' 8' ' ' MET . 61.9 m -52.93 -37.68 61.11 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.483 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.3 t -59.92 -35.61 61.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.62 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.61 90.6 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.125 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.0 ttp -60.34 -39.0 85.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.033 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -58.55 -42.28 87.49 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.345 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -60.98 -41.63 96.78 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.424 178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -60.77 -41.58 95.79 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.286 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.73 -39.83 65.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.97 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -54.69 -34.71 62.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.199 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.86 -33.25 68.47 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.546 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -103.61 137.17 42.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.568 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.481 ' OG ' ' CG ' ' A' ' 40' ' ' GLU . 32.9 t -107.45 141.87 38.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.572 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.72 -36.93 80.08 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 42.1 tp -61.22 -42.11 98.04 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.095 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.63 -42.24 91.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.599 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.1 m -63.23 -42.86 99.29 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.085 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.52 -39.86 85.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.056 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.602 ' CG ' HG23 ' A' ' 82' ' ' THR . 60.8 ttp -61.14 -42.0 97.76 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.02 -31.24 66.79 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.098 0.475 . . . . 0.0 110.145 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.4 m -56.31 -35.9 68.07 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.771 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.2 mt -59.5 -42.41 92.12 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 119.031 -1.068 . . . . 0.0 111.248 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.9 -46.44 88.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.207 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -61.63 -41.59 97.7 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.541 -0.464 . . . . 0.0 112.193 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.427 ' C ' ' HD1' ' B' ' 18' ' ' HIS . 16.4 m -73.06 -38.47 55.54 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.363 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.8 -46.83 88.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.696 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.92 -47.95 78.52 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.015 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.11 -51.23 56.66 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.226 -0.59 . . . . 0.0 112.094 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.632 ' CG ' HD13 ' B' ' 36' ' ' LEU . 75.5 m80 -61.43 -46.43 90.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.124 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.4 t -61.49 -40.65 95.32 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.353 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.82 -36.26 93.08 Favored Glycine 0 CA--C 1.521 0.431 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.583 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.54 -41.69 86.09 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.491 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -129.64 144.77 51.43 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.493 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.61 -163.73 54.76 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.46 137.29 48.12 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -61.76 -38.88 89.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.042 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -66.37 -34.17 77.36 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.66 147.06 48.77 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -177.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 tp -106.57 125.67 51.3 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 114.661 -1.154 . . . . 0.0 108.655 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 54.7 p -87.13 159.13 19.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.221 -0.592 . . . . 0.0 109.706 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -57.9 -39.22 77.38 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.144 -0.623 . . . . 0.0 111.156 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -59.34 -42.08 90.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 119.428 -0.909 . . . . 0.0 109.838 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.491 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 98.0 mt-10 -65.65 -38.6 89.81 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.08 0.467 . . . . 0.0 109.782 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.88 -42.2 99.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.573 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.1 -43.17 99.29 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.505 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.63 -40.06 94.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.782 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.632 HD13 ' CG ' ' B' ' 18' ' ' HIS . 30.3 tp -62.83 -47.96 81.12 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.98 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.641 HD13 ' CD1' ' B' ' 81' ' ' LEU . 60.4 mt -68.43 -36.87 79.69 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.868 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.53 -44.65 95.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.545 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 56.0 m -80.63 -53.71 6.3 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.599 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 49.6 mp0 -76.43 -27.56 56.29 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -177.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.713 ' CD1' ' H ' ' B' ' 43' ' ' GLY . 0.4 OUTLIER -88.84 125.47 34.93 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.648 -177.01 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.584 ' O ' ' N ' ' B' ' 44' ' ' PHE . 23.9 m -55.75 -32.67 63.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.813 -179.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.713 ' H ' ' CD1' ' B' ' 41' ' ' LEU . . . -45.27 -13.12 0.04 OUTLIER Glycine 0 CA--C 1.52 0.366 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.584 ' N ' ' O ' ' B' ' 42' ' ' SER . 78.6 t80 -50.16 -42.92 51.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.95 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.2 mt -61.67 -36.9 82.18 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.57 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.481 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 58.9 t0 -104.67 13.76 30.95 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.817 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.917 ' HB1' ' CG2' ' B' ' 51' ' ' VAL . . . -58.43 -41.29 84.72 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.576 -177.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.594 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.9 mt-30 28.48 -158.95 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.645 0.736 . . . . 0.0 112.271 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -58.18 -22.17 50.5 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.847 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -51.68 -32.62 30.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.167 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.917 ' CG2' ' HB1' ' B' ' 47' ' ' ALA . 48.2 t -52.07 -38.92 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.346 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -54.76 -35.66 64.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.43 . . . . 0.0 110.634 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.07 -27.7 61.95 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.158 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.644 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.0 p -52.13 -37.06 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.246 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -66.03 -43.32 87.93 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.114 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.55 -41.3 98.81 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 19.9 m -73.09 -29.58 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.319 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 21.8 ttt -54.82 -39.62 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.043 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -59.91 -42.52 94.05 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.257 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.39 -41.2 93.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.604 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 74.7 mt -66.97 -38.33 85.88 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.539 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 53.1 t0 -89.58 108.09 19.46 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.68 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.51 -34.73 77.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.248 0.547 . . . . 0.0 110.02 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -58.39 -39.35 79.42 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.359 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.31 6.81 84.29 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 108.264 -1.934 . . . . 0.0 108.264 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.648 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 48.7 p30 -63.3 -33.23 75.06 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.365 -0.917 . . . . 0.0 112.896 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.648 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.74 -3.7 63.05 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -178.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.435 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 95.9 mt-10 -114.77 155.57 26.46 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.2 m -125.1 153.54 32.46 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-O 121.692 0.758 . . . . 0.0 111.963 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.43 ' C ' ' OD1' ' B' ' 70' ' ' ASP . 50.6 p30 -117.57 177.48 4.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.419 -1.264 . . . . 0.0 108.471 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -54.05 -42.73 69.54 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.746 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.457 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.9 tt0 -59.62 -43.18 93.89 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 120.242 -0.583 . . . . 0.0 112.009 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -69.51 -37.61 77.23 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.906 -0.717 . . . . 0.0 110.71 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.424 ' O ' HG13 ' B' ' 78' ' ' VAL . 71.4 t80 -62.26 -45.91 91.18 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.457 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.6 p -60.85 -39.78 83.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.099 -0.641 . . . . 0.0 111.399 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 m -76.52 -34.22 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.345 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.427 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.5 tt -61.73 -41.93 98.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.829 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.424 HG13 ' O ' ' B' ' 74' ' ' TYR . 13.1 m -73.07 -33.03 41.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 C-N-CA 119.787 -0.765 . . . . 0.0 110.392 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.25 87.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.048 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.0 96.26 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.872 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.641 ' CD1' HD13 ' B' ' 37' ' ' LEU . 68.2 mt -64.27 -36.63 84.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.189 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.595 HG23 ' CG ' ' A' ' 8' ' ' MET . 62.0 m -52.92 -37.66 61.04 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.494 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.9 -35.67 62.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.638 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.64 90.82 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.192 -0.603 . . . . 0.0 111.062 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.1 ttp -60.31 -39.04 85.59 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.996 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -58.33 -42.3 86.5 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.483 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -61.07 -41.58 96.9 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.345 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.75 -41.63 95.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.236 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.8 -39.75 65.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.974 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.69 -34.66 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.278 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.86 -33.32 68.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.535 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -103.58 137.11 42.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.505 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.583 179.94 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.595 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.444 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 57.1 p -69.79 161.63 29.44 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.521 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.18 -38.65 77.09 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.839 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp -61.95 -41.63 98.2 Favored 'General case' 0 C--O 1.243 0.725 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.58 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.01 -40.81 96.94 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.431 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -64.57 -40.16 95.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.722 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.25 93.29 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.491 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.483 ' HB2' HG23 ' B' ' 82' ' ' THR . 13.4 ptp -62.4 -39.75 94.27 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 119.222 -0.991 . . . . 0.0 111.046 -179.141 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.586 ' OE1' HD12 ' A' ' 12' ' ' ILE . 76.5 mm-40 -57.02 -31.61 65.3 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.095 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.6 m -55.77 -38.13 69.45 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.196 -0.601 . . . . 0.0 109.886 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.01 -40.34 97.48 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.373 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.586 HD12 ' OE1' ' A' ' 9' ' ' GLU . 76.6 mt -64.17 -46.15 94.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.375 -179.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -60.78 -41.55 95.78 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.39 -0.524 . . . . 0.0 112.001 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -72.43 -39.02 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.332 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -61.32 -47.05 87.7 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.641 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.414 ' CD2' HG22 ' A' ' 12' ' ' ILE . 5.9 m-70 -61.6 -45.68 93.05 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.914 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.3 -50.38 65.92 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.986 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.437 ' CG ' HD13 ' A' ' 36' ' ' LEU . 40.8 m80 -62.54 -46.54 87.93 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.141 -0.624 . . . . 0.0 111.541 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t -61.35 -41.99 97.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.015 0.436 . . . . 0.0 111.359 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.467 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . . . -63.58 -39.57 97.75 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.46 -0.791 . . . . 0.0 113.596 -178.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -59.99 -43.4 95.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.439 ' O ' ' CD ' ' A' ' 32' ' ' GLU . 94.9 mt-10 -131.91 150.79 52.05 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.722 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.04 -165.84 53.65 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.78 137.16 49.35 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 20' ' ' GLY . 68.3 mmtt -61.14 -39.44 90.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.096 0.474 . . . . 0.0 110.326 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -67.5 -34.8 77.87 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.566 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 34.2 mtpt -123.0 153.17 40.15 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.582 0.706 . . . . 0.0 112.896 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.3 tp -98.47 125.48 43.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.1 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.3 p -83.53 156.45 22.8 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.961 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -59.19 -36.91 76.19 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 119.128 -1.029 . . . . 0.0 109.806 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -55.65 -41.94 74.32 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 119.297 -0.961 . . . . 0.0 108.588 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' CD ' ' O ' ' A' ' 22' ' ' GLU . 48.7 mt-10 -67.74 -38.57 83.7 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.065 177.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.7 tp -64.43 -46.71 82.02 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -60.42 -44.02 96.16 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.963 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.39 -38.86 91.23 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.214 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.437 HD13 ' CG ' ' A' ' 18' ' ' HIS . 36.1 tp -64.43 -43.78 93.27 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.425 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.44 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -68.25 -42.8 79.11 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.586 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.463 ' NE2' HG11 ' A' ' 51' ' ' VAL . 94.5 mt-30 -64.84 -42.23 95.07 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.647 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.47 -42.77 74.41 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.2 mm-40 -75.09 -33.82 61.69 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.604 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -95.76 142.84 27.56 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -178.352 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.591 ' O ' ' N ' ' A' ' 44' ' ' PHE . 24.8 m -55.66 -28.92 58.11 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.027 177.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -44.75 -10.23 0.01 OUTLIER Glycine 0 CA--C 1.522 0.505 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.419 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.591 ' N ' ' O ' ' A' ' 42' ' ' SER . 65.5 t80 -49.32 -41.04 37.33 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.5 tp -58.41 -36.42 73.55 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 43' ' ' GLY . 89.1 m-20 -86.65 13.25 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.195 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.529 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -59.76 -11.75 5.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.396 -178.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.633 ' O ' HG22 ' A' ' 51' ' ' VAL . 93.9 mt-30 -51.44 -156.94 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.261 0.553 . . . . 0.0 111.636 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -54.16 -21.08 7.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.555 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.71 -34.19 58.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.504 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 48' ' ' GLN . 24.0 m -58.14 -14.0 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.812 -179.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -55.55 -36.06 66.38 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' ' 57' ' ' VAL . . . -56.91 -28.63 62.23 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.189 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.574 ' O ' HG22 ' A' ' 57' ' ' VAL . 71.4 t -56.68 -39.35 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.59 -41.03 93.87 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.114 -1.034 . . . . 0.0 109.701 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -63.27 -38.78 92.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.822 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 54' ' ' VAL . 2.5 m -70.51 -31.3 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.256 -177.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.11 -36.37 72.81 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.41 -40.02 85.32 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.888 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -67.02 -41.24 86.97 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.655 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.702 ' CD1' HD12 ' A' ' 77' ' ' LEU . 71.6 mt -68.21 -36.63 79.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.824 0.345 . . . . 0.0 111.37 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.495 ' OD1' ' OE1' ' A' ' 73' ' ' GLU . 97.5 m-20 -98.6 71.24 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.141 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.28 -29.02 69.6 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -53.68 -36.48 62.21 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.123 -1.399 . . . . 0.0 110.089 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.55 3.69 74.38 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 108.441 -1.864 . . . . 0.0 108.441 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.694 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.9 p30 -62.57 -35.78 80.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.316 -0.942 . . . . 0.0 113.03 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.694 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 86.83 0.75 85.63 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 108.562 -1.815 . . . . 0.0 108.562 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.566 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 95.9 mt-10 -116.64 157.97 24.51 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 114.44 -0.88 . . . . 0.0 109.098 179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.45 150.41 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.647 0.737 . . . . 0.0 111.449 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -102.88 161.85 13.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.048 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -51.51 -40.05 58.84 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.16 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.464 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.2 tt0 -57.6 -41.59 81.52 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.824 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.495 ' OE1' ' OD1' ' A' ' 62' ' ' ASP . 93.1 mt-10 -68.27 -39.82 82.04 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.536 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -63.36 -44.48 94.68 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 72' ' ' GLN . 2.7 p -59.68 -39.14 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.509 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 73' ' ' GLU . 31.6 m -75.97 -33.24 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 120.055 -0.658 . . . . 0.0 109.91 178.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.702 HD12 ' CD1' ' A' ' 61' ' ' LEU . 7.8 tt -59.73 -42.82 93.98 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.736 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.8 m -73.41 -32.65 37.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.401 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.39 92.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.485 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.11 -43.0 93.44 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.307 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 65.0 mt -64.7 -36.28 83.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.718 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.481 HG23 ' HB2' ' B' ' 8' ' ' MET . 50.5 m -53.31 -37.69 62.48 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.484 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.91 -35.88 63.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.237 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.77 80.7 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.257 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.4 tpt -59.12 -38.41 79.53 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -58.32 -44.38 88.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.017 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.76 -41.75 99.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.288 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.74 -42.08 96.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.044 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -53.58 -39.19 64.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.994 -178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -54.41 -34.74 61.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.595 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.32 -32.67 72.54 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.63 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.85 136.99 42.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.5 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.1 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.559 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.499 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 57.4 p -69.73 161.62 29.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.725 0.298 . . . . 0.0 110.588 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.26 -38.73 77.5 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.746 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.85 -41.7 98.14 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.573 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.96 -40.88 97.1 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.413 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -64.53 -40.2 95.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.683 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.25 93.64 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.571 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.481 ' HB2' HG23 ' A' ' 82' ' ' THR . 13.4 ptp -62.54 -39.64 94.24 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.96 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.579 ' OE1' HD12 ' B' ' 12' ' ' ILE . 76.6 mm-40 -57.08 -31.69 65.5 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.1 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.8 m -55.59 -38.29 69.22 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.194 -0.603 . . . . 0.0 109.926 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.7 mt -62.93 -40.31 97.23 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.44 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.579 HD12 ' OE1' ' B' ' 9' ' ' GLU . 76.6 mt -64.13 -46.16 94.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.362 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -60.7 -41.72 95.75 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.442 -0.503 . . . . 0.0 112.007 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 30.2 m -72.31 -39.11 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.338 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.22 -47.1 87.68 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.642 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.424 ' CD2' HG22 ' B' ' 12' ' ' ILE . 5.9 m-70 -61.66 -45.66 93.06 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.897 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.2 -50.44 65.9 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 119.892 -0.723 . . . . 0.0 111.968 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.446 ' CG ' HD13 ' B' ' 36' ' ' LEU . 40.8 m80 -62.64 -46.44 88.21 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.553 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t -61.43 -41.94 97.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.007 0.432 . . . . 0.0 111.322 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.62 -39.53 97.67 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 115.475 -0.784 . . . . 0.0 113.602 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -60.01 -43.39 95.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -177.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.445 ' O ' ' CD ' ' B' ' 32' ' ' GLU . 94.9 mt-10 -131.89 150.71 52.07 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.753 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.09 -165.86 53.59 Favored Glycine 0 CA--C 1.518 0.263 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.8 137.16 49.3 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -61.12 -39.49 90.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.015 0.436 . . . . 0.0 110.233 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -67.38 -34.91 78.26 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.559 ' NZ ' ' OE1' ' B' ' 68' ' ' GLU . 34.2 mtpt -122.9 153.15 40.06 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.9 tp -98.41 125.57 43.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.095 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 57.0 p -83.6 156.47 22.71 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.325 -0.55 . . . . 0.0 109.874 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -59.24 -36.93 76.35 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 119.074 -1.051 . . . . 0.0 109.787 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -55.59 -42.0 74.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 119.282 -0.967 . . . . 0.0 108.534 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.445 ' CD ' ' O ' ' B' ' 22' ' ' GLU . 48.8 mt-10 -67.67 -38.68 84.07 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.002 177.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 tp -64.31 -46.71 82.38 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -60.4 -44.13 95.98 Favored 'General case' 0 N--CA 1.436 -1.171 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.915 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.38 -38.93 91.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.177 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.446 HD13 ' CG ' ' B' ' 18' ' ' HIS . 36.1 tp -64.29 -43.89 93.38 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 120.078 -0.649 . . . . 0.0 111.433 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.5 OUTLIER -68.14 -42.83 79.53 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.577 179.799 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.458 ' NE2' HG11 ' B' ' 51' ' ' VAL . 94.5 mt-30 -64.92 -42.1 94.99 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.49 -0.884 . . . . 0.0 111.622 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.55 -42.71 74.21 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.444 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 77.2 mm-40 -75.18 -33.76 61.49 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.616 ' CD2' ' N ' ' B' ' 41' ' ' LEU . 0.5 OUTLIER -95.88 142.83 27.66 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.957 0.885 . . . . 0.0 113.265 -178.292 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.591 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.1 m -55.65 -28.88 57.86 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.024 177.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' B' ' 46' ' ' ASP . . . -44.7 -10.22 0.01 OUTLIER Glycine 0 CA--C 1.522 0.471 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.442 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.591 ' N ' ' O ' ' B' ' 42' ' ' SER . 65.7 t80 -49.39 -41.01 38.1 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.39 -36.52 73.66 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 43' ' ' GLY . 88.9 m-20 -86.56 13.18 8.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.243 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.541 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -59.7 -11.77 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.326 -178.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.635 ' O ' HG22 ' B' ' 51' ' ' VAL . 94.0 mt-30 -51.48 -156.95 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.292 0.567 . . . . 0.0 111.628 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -54.04 -21.22 7.83 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.481 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -53.67 -34.2 57.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.809 0.338 . . . . 0.0 110.534 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.635 HG22 ' O ' ' B' ' 48' ' ' GLN . 23.7 m -58.12 -14.02 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.774 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.61 -36.08 66.56 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.554 ' O ' HG13 ' B' ' 57' ' ' VAL . . . -56.89 -28.6 62.08 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.195 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.574 ' O ' HG22 ' B' ' 57' ' ' VAL . 71.2 t -56.64 -39.43 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.64 -40.94 93.83 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.078 -1.049 . . . . 0.0 109.618 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -63.26 -38.84 92.74 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.78 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.574 HG22 ' O ' ' B' ' 54' ' ' VAL . 2.5 m -70.44 -31.41 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 120.203 -0.599 . . . . 0.0 112.215 -177.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.04 -36.39 72.68 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.33 -40.08 85.19 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.969 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.91 -41.31 87.31 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.013 -0.675 . . . . 0.0 111.685 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.719 ' CD1' HD12 ' B' ' 77' ' ' LEU . 71.5 mt -68.2 -36.58 79.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.85 0.357 . . . . 0.0 111.399 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.488 ' OD1' ' OE1' ' B' ' 73' ' ' GLU . 97.4 m-20 -98.61 71.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.114 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.25 -29.12 69.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -53.54 -36.57 61.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.106 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.54 3.75 74.33 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.694 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.9 p30 -62.44 -35.82 80.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.417 -0.891 . . . . 0.0 113.057 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.694 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 86.73 0.81 85.77 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 108.58 -1.808 . . . . 0.0 108.58 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.559 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 95.9 mt-10 -116.72 157.98 24.58 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 114.408 -0.896 . . . . 0.0 109.163 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.39 150.4 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.627 0.727 . . . . 0.0 111.474 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -102.95 161.75 13.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.519 -1.219 . . . . 0.0 108.99 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -51.49 -40.06 58.79 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.148 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.461 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.2 tt0 -57.58 -41.54 81.35 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.904 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.488 ' OE1' ' OD1' ' B' ' 62' ' ' ASP . 93.1 mt-10 -68.33 -39.83 81.83 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.475 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -63.26 -44.51 94.93 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.461 HG12 ' O ' ' B' ' 72' ' ' GLN . 2.7 p -59.6 -39.26 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.551 -178.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.473 HG22 ' O ' ' B' ' 73' ' ' GLU . 31.5 m -75.81 -33.36 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 120.159 -0.616 . . . . 0.0 109.896 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.719 HD12 ' CD1' ' B' ' 61' ' ' LEU . 7.8 tt -59.82 -42.81 94.33 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.626 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 23.0 m -73.4 -32.58 37.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.371 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.35 92.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.426 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.17 -43.04 93.01 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.266 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.405 ' CD1' ' CD1' ' B' ' 37' ' ' LEU . 65.8 mt -64.7 -36.25 83.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.751 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 8' ' ' MET . 48.5 m -53.2 -37.8 62.31 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.602 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 71.6 t -59.82 -35.9 63.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.275 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.8 80.92 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.164 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.4 tpt -59.14 -38.27 79.28 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -58.41 -44.32 88.97 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.038 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.79 -41.72 99.38 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.322 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.71 -42.13 96.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.048 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -53.54 -39.12 64.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.05 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -54.49 -34.73 62.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.579 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.3 -32.71 72.57 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.655 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.85 137.02 42.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.599 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 m -63.21 157.56 22.26 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.993 0.425 . . . . 0.0 110.508 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -59.51 -37.28 77.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.171 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.494 HD21 HG11 ' B' ' 14' ' ' VAL . 45.8 mt -63.94 -39.2 93.6 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.276 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.82 -39.19 90.62 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.619 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -63.1 -43.07 99.51 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.274 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.33 -37.34 83.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.223 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.714 ' CG ' HG23 ' B' ' 82' ' ' THR . 45.0 ttm -58.42 -42.82 88.1 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.765 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.29 -31.78 65.96 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.11 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.459 HG22 HD23 ' B' ' 4' ' ' LEU . 30.8 m -56.94 -36.91 70.8 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 14' ' ' VAL . 37.5 mt -63.3 -41.03 98.93 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 118.738 -1.185 . . . . 0.0 110.49 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.534 HD12 ' HE1' ' B' ' 85' ' ' MET . 75.9 mt -64.69 -38.34 82.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.769 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -58.38 -43.39 88.45 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 119.819 -0.753 . . . . 0.0 111.06 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 11' ' ' LEU . 20.7 m -74.66 -39.03 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.169 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.435 ' O ' ' OG ' ' A' ' 19' ' ' SER . 68.2 t80 -62.19 -47.49 84.27 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.792 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -63.19 -48.7 77.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.953 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.34 -51.14 60.29 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.829 -179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.473 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 77.2 m80 -63.08 -46.89 85.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.32 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.523 ' N ' ' OE2' ' A' ' 32' ' ' GLU . 29.3 m -60.97 -40.18 92.42 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.477 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.87 -47.11 68.31 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.776 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.09 -44.63 96.24 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -132.78 144.56 50.33 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.873 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.524 ' O ' ' O ' ' A' ' 27' ' ' LYS . . . 73.95 19.53 79.76 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 121.232 -0.509 . . . . 0.0 112.237 177.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.478 ' O ' ' O ' ' A' ' 23' ' ' GLY . 89.4 m-20 59.91 138.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 117.253 0.526 . . . . 0.0 109.949 -179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -58.46 -38.46 77.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.912 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -62.62 -35.03 78.25 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -177.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.524 ' O ' ' O ' ' A' ' 23' ' ' GLY . 97.7 mttt -125.39 147.43 49.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.145 0.498 . . . . 0.0 111.729 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tt -107.31 131.71 53.92 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -103.92 151.8 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.596 ' HZ2' ' CG ' ' A' ' 55' ' ' ASP . 66.0 tttt -56.64 -37.31 70.59 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.339 -0.944 . . . . 0.0 110.565 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -55.92 -40.95 73.84 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 118.324 -1.35 . . . . 0.0 107.945 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.523 ' OE2' ' N ' ' A' ' 19' ' ' SER . 81.0 tt0 -66.14 -40.93 90.99 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.732 177.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 33.9 tp -67.19 -47.96 69.35 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -60.63 -45.89 92.35 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.763 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.78 -37.94 87.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.157 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.473 HD12 ' CG ' ' A' ' 18' ' ' HIS . 9.1 tt -64.24 -43.97 93.24 Favored 'General case' 0 CA--C 1.522 -0.113 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.661 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -67.84 -39.61 83.83 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.158 178.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.68 -44.98 95.92 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.096 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.2 m -70.8 -42.02 70.84 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.442 ' CG ' HD12 ' B' ' 4' ' ' LEU . 78.5 mm-40 -74.09 -33.46 63.64 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -177.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 81' ' ' LEU . 69.5 mt -97.17 148.13 23.38 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -178.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.582 ' O ' ' N ' ' A' ' 44' ' ' PHE . 24.6 m -55.13 -29.73 58.31 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 113.985 -1.461 . . . . 0.0 108.602 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -45.36 -10.46 0.02 OUTLIER Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.321 -1.111 . . . . 0.0 110.321 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 42' ' ' SER . 55.5 t80 -50.08 -43.92 51.6 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.4 tp -62.09 -36.56 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.431 0.634 . . . . 0.0 109.571 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.66 ' C ' ' H ' ' A' ' 48' ' ' GLN . 89.1 m-20 -87.89 11.43 15.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.56 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.416 ' HA ' HG11 ' A' ' 51' ' ' VAL . . . -56.61 19.87 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.66 ' H ' ' C ' ' A' ' 46' ' ' ASP . 93.2 mt-30 -62.84 158.31 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 56.1 pttt -40.74 -16.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.667 -178.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 48' ' ' GLN . 92.3 m-20 -54.86 -34.56 63.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.183 0.516 . . . . 0.0 110.367 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 54' ' ' VAL . 20.9 m -57.05 -11.79 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.356 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 92.2 m-20 -55.7 -34.62 65.25 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.49 -27.35 62.46 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.583 0.706 . . . . 0.0 109.974 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.0 p -52.36 -35.96 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.596 ' CG ' ' HZ2' ' A' ' 30' ' ' LYS . 55.9 t0 -60.11 -42.37 94.58 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.41 178.402 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -63.92 -38.69 92.02 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.601 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 54' ' ' VAL . 2.1 m -69.48 -31.12 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 119.927 -0.709 . . . . 0.0 112.508 -177.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.8 mmm -55.79 -37.5 68.68 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.613 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -59.66 -42.4 92.74 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.15 -40.86 86.77 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.446 ' N ' HD12 ' A' ' 61' ' ' LEU . 6.7 mp -68.56 -39.95 80.82 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 120.102 -0.639 . . . . 0.0 112.119 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 60.7 t0 -89.85 112.43 23.77 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.677 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.11 -33.43 76.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -57.17 -38.15 73.16 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.564 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.46 20.76 79.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.582 ' C ' ' H ' ' A' ' 68' ' ' GLU . 44.6 p30 -88.69 3.63 50.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.04 -7.02 0.21 Allowed Glycine 0 CA--C 1.529 0.913 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.582 ' H ' ' C ' ' A' ' 66' ' ' ASP . 84.4 tt0 -108.21 145.25 34.51 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.8 m -124.16 150.1 28.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 CA-C-O 121.973 0.892 . . . . 0.0 112.267 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -104.01 164.79 11.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 113.895 -1.502 . . . . 0.0 109.027 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -51.42 -41.29 60.67 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.94 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.494 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.5 tt0 -58.94 -42.12 89.01 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 119.871 -0.732 . . . . 0.0 111.012 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.444 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.9 mt-10 -68.58 -38.3 80.58 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.206 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -62.52 -44.67 95.78 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.7 p -59.77 -39.31 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.667 -178.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.2 m -76.13 -32.02 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.522 178.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.423 HD23 ' C ' ' A' ' 77' ' ' LEU . 10.1 tt -59.77 -42.47 93.39 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.752 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 75' ' ' VAL . 21.3 m -73.24 -33.04 40.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.798 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.86 86.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.149 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.88 95.86 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.071 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.426 HD13 HD11 ' A' ' 41' ' ' LEU . 64.0 mt -64.72 -36.44 84.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.225 179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.69 HG23 ' CG ' ' B' ' 8' ' ' MET . 73.7 m -52.89 -37.72 60.86 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.539 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.572 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 78.0 t -59.25 -36.43 63.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.459 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.79 -31.61 72.62 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.53 ' HE1' HD12 ' B' ' 12' ' ' ILE . 4.6 ttp -57.42 -38.44 74.34 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.58 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.726 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 32.0 p-10 -60.18 -42.42 94.98 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 119.279 -0.969 . . . . 0.0 109.712 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.726 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 93.6 m-20 -63.58 -38.47 91.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.765 178.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -60.12 -40.86 91.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.183 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.22 -38.92 63.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.973 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.27 -34.83 61.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.584 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.17 -32.38 72.11 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.641 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -99.58 120.23 39.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.447 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.569 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.5 m -63.28 157.56 22.51 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.904 0.383 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -59.41 -37.48 78.14 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.146 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.477 HD21 HG11 ' A' ' 14' ' ' VAL . 45.4 mt -63.81 -39.25 93.79 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.286 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.76 -39.37 90.97 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.522 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.8 m -62.97 -43.12 99.66 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.299 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.61 81.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.196 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.69 ' CG ' HG23 ' A' ' 82' ' ' THR . 45.1 ttm -59.03 -42.83 91.14 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.677 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.18 -31.88 65.88 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.14 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.45 HG22 HD23 ' A' ' 4' ' ' LEU . 30.5 m -56.88 -36.89 70.62 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.959 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.474 ' O ' HG22 ' B' ' 14' ' ' VAL . 37.5 mt -63.44 -40.84 98.23 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 118.702 -1.199 . . . . 0.0 110.475 -178.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.53 HD12 ' HE1' ' A' ' 85' ' ' MET . 75.9 mt -64.76 -38.29 82.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.76 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -58.45 -43.41 88.82 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.84 -0.744 . . . . 0.0 111.003 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.494 HG11 HD21 ' A' ' 4' ' ' LEU . 20.9 m -74.6 -39.01 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.153 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.447 ' O ' ' OG ' ' B' ' 19' ' ' SER . 68.4 t80 -62.25 -47.4 84.55 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.843 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -63.24 -48.69 77.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.992 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.29 -51.15 60.29 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 120.069 -0.652 . . . . 0.0 111.873 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.474 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 77.2 m80 -63.0 -46.9 85.47 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.424 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.52 ' N ' ' OE2' ' B' ' 32' ' ' GLU . 28.5 m -60.94 -40.22 92.44 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.561 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.93 -47.08 67.96 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.728 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.02 -44.72 96.12 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -132.8 144.52 50.29 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.817 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.527 ' O ' ' O ' ' B' ' 27' ' ' LYS . . . 73.99 19.47 79.77 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.209 177.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' B' ' 23' ' ' GLY . 89.6 m-20 59.96 138.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.965 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -58.45 -38.41 77.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.902 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -62.71 -34.97 78.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -177.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.527 ' O ' ' O ' ' B' ' 23' ' ' GLY . 97.7 mttt -125.47 147.45 49.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.091 0.472 . . . . 0.0 111.825 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -107.31 131.65 53.99 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -103.84 151.79 22.68 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.552 ' HZ2' ' CG ' ' B' ' 55' ' ' ASP . 66.0 tttt -56.75 -37.23 70.75 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.554 -178.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -55.83 -41.03 73.66 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 118.328 -1.349 . . . . 0.0 107.996 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.52 ' OE2' ' N ' ' B' ' 19' ' ' SER . 81.1 tt0 -66.14 -40.89 90.94 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.787 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 33.8 tp -67.17 -47.98 69.34 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -60.62 -45.87 92.39 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.741 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.84 -37.9 87.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.155 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.473 HD12 ' CG ' ' B' ' 18' ' ' HIS . 9.2 tt -64.33 -43.85 93.37 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 120.079 -0.649 . . . . 0.0 110.62 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.433 ' N ' ' CD2' ' B' ' 37' ' ' LEU . 0.5 OUTLIER -67.95 -39.64 83.4 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.081 178.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.65 -44.98 95.96 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.07 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -70.8 -42.11 70.73 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.441 ' CG ' HD12 ' A' ' 4' ' ' LEU . 78.6 mm-40 -73.98 -33.59 63.9 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -177.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.429 HD11 HD13 ' B' ' 81' ' ' LEU . 69.4 mt -97.17 148.07 23.44 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.585 ' O ' ' N ' ' B' ' 44' ' ' PHE . 24.7 m -55.09 -29.76 58.26 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 113.902 -1.499 . . . . 0.0 108.641 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -45.22 -10.48 0.02 OUTLIER Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.585 ' N ' ' O ' ' B' ' 42' ' ' SER . 55.7 t80 -50.12 -43.9 52.05 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.5 tp -62.05 -36.62 82.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.405 0.622 . . . . 0.0 109.618 177.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.65 ' C ' ' H ' ' B' ' 48' ' ' GLN . 88.8 m-20 -87.74 11.34 15.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.556 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.412 ' HA ' HG11 ' B' ' 51' ' ' VAL . . . -56.6 19.75 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.65 ' H ' ' C ' ' B' ' 46' ' ' ASP . 93.2 mt-30 -62.7 158.22 19.04 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 56.2 pttt -40.82 -15.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.67 -178.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' B' ' 48' ' ' GLN . 92.2 m-20 -54.9 -34.65 63.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.142 0.496 . . . . 0.0 110.297 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.667 ' O ' HG12 ' B' ' 54' ' ' VAL . 20.7 m -56.87 -11.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.402 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' B' ' 49' ' ' LYS . 92.3 m-20 -55.62 -34.67 65.11 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.404 ' O ' HG13 ' B' ' 57' ' ' VAL . . . -57.4 -27.49 62.4 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 121.586 0.707 . . . . 0.0 109.912 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.667 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.0 p -52.24 -36.05 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.552 ' CG ' ' HZ2' ' B' ' 30' ' ' LYS . 55.9 t0 -60.03 -42.49 94.49 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.35 178.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -63.85 -38.73 92.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.553 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.558 HG22 ' O ' ' B' ' 54' ' ' VAL . 2.1 m -69.45 -31.15 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 120.006 -0.678 . . . . 0.0 112.48 -177.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.8 mmm -55.88 -37.4 68.76 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.652 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -59.71 -42.36 92.86 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.11 -40.82 86.92 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.439 ' N ' HD12 ' B' ' 61' ' ' LEU . 6.7 mp -68.73 -39.85 80.18 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.07 -0.652 . . . . 0.0 112.063 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.54 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 60.8 t0 -89.99 112.4 23.79 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.641 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.04 -33.46 76.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -57.14 -38.19 73.14 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.531 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.54 20.67 79.49 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.603 ' C ' ' H ' ' B' ' 68' ' ' GLU . 44.8 p30 -88.79 3.68 50.19 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.03 -6.97 0.21 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.603 ' H ' ' C ' ' B' ' 66' ' ' ASP . 84.4 tt0 -108.24 145.31 34.49 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 25.5 m -124.12 150.07 28.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 CA-C-O 121.968 0.89 . . . . 0.0 112.27 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -104.03 164.84 11.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 113.847 -1.524 . . . . 0.0 109.014 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -51.45 -41.28 60.74 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.863 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.481 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.5 tt0 -58.9 -42.22 89.06 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.016 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.438 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.9 mt-10 -68.58 -38.26 80.55 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 119.816 -0.753 . . . . 0.0 110.206 178.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -62.51 -44.65 95.84 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.481 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.6 p -59.84 -39.27 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.65 -178.203 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.438 HG22 ' O ' ' B' ' 73' ' ' GLU . 33.1 m -76.02 -32.09 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.513 178.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.427 HD23 ' C ' ' B' ' 77' ' ' LEU . 10.1 tt -59.86 -42.36 93.5 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.739 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.415 HG22 ' O ' ' B' ' 75' ' ' VAL . 21.7 m -73.3 -33.01 39.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.709 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.79 86.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.091 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.47 -42.83 95.69 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.032 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.429 HD13 HD11 ' B' ' 41' ' ' LEU . 63.9 mt -64.79 -36.42 84.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.175 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.714 HG23 ' CG ' ' A' ' 8' ' ' MET . 75.1 m -52.82 -37.82 60.5 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.533 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.568 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 76.7 t -59.1 -36.55 63.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.458 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.78 -31.54 72.53 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.534 ' HE1' HD12 ' A' ' 12' ' ' ILE . 4.7 ttp -57.59 -38.4 74.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.476 -178.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.721 ' OD1' ' N ' ' B' ' 87' ' ' ASN . 32.1 p-10 -60.21 -42.36 94.98 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 119.184 -1.007 . . . . 0.0 109.716 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.721 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 93.6 m-20 -63.61 -38.43 91.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.714 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.17 -40.79 91.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.146 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.26 -38.94 63.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.305 -0.862 . . . . 0.0 109.999 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.25 -34.88 61.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.531 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.14 -32.45 72.16 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.552 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -99.51 120.28 39.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.42 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.56 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.614 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' B' ' 40' ' ' GLU . 53.2 p -69.56 161.37 29.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.658 0.266 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -61.91 -37.72 85.68 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.771 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 tp -61.41 -43.13 99.41 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.035 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.39 -42.31 88.07 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.048 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.6 m -61.61 -42.8 99.39 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.826 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -67.09 -41.53 86.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.927 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.528 ' CG ' HG23 ' B' ' 82' ' ' THR . 63.0 ttp -63.19 -44.6 94.92 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.34 -31.52 67.66 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.098 0.475 . . . . 0.0 110.15 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.443 HG21 ' HB2' ' B' ' 7' ' ' ALA . 37.4 m -56.3 -36.23 68.42 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.821 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.11 -42.63 98.88 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.721 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.9 mt -66.13 -44.34 91.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.001 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -61.28 -41.52 97.08 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.413 -0.515 . . . . 0.0 112.035 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -73.95 -38.76 50.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.567 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.56 ' CE1' HD22 ' A' ' 28' ' ' LEU . 65.3 t80 -63.25 -49.47 74.01 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.422 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.47 -46.87 84.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.196 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.66 87.44 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 120.059 -0.657 . . . . 0.0 111.515 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.609 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 85.7 t60 -64.22 -47.45 79.63 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.581 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.5 p -63.39 -35.68 81.19 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.033 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.55 -40.22 94.15 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.336 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -59.92 -41.99 92.95 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.541 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -127.67 151.5 48.88 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.928 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.08 -162.73 42.58 Favored Glycine 0 C--N 1.332 0.355 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -71.47 136.93 47.83 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -61.3 -39.56 90.92 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.432 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -68.01 -33.81 75.32 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -115.68 146.68 41.63 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 15' ' ' PHE . 17.5 tp -107.18 131.78 53.78 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.02 178.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -104.62 151.84 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.77 -37.93 71.78 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.709 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -55.19 -40.7 71.02 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 118.86 -1.136 . . . . 0.0 108.006 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.609 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 96.5 mt-10 -67.67 -38.76 84.19 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.521 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.77 -46.28 85.98 Favored 'General case' 0 C--N 1.345 0.373 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -59.73 -43.99 93.96 Favored 'General case' 0 N--CA 1.433 -1.288 0 C-N-CA 119.423 -0.911 . . . . 0.0 110.635 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -64.06 -41.13 97.48 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.446 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.54 HD13 ' CG ' ' A' ' 18' ' ' HIS . 34.5 tp -65.34 -45.14 85.38 Favored 'General case' 0 CA--C 1.527 0.065 0 C-N-CA 119.906 -0.718 . . . . 0.0 112.253 -179.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -69.49 -42.73 74.39 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.823 -0.751 . . . . 0.0 112.143 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -64.37 -43.39 94.66 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 119.442 -0.903 . . . . 0.0 111.6 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -71.07 -42.48 69.33 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.51 -32.9 62.66 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -177.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.599 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 22.2 tp -100.14 123.69 44.68 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 119.654 -0.818 . . . . 0.0 112.011 -177.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.494 ' C ' ' N ' ' A' ' 44' ' ' PHE . 86.2 p -62.09 -27.51 68.96 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.782 0.801 . . . . 0.0 109.122 178.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.599 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -49.1 -14.29 0.45 Allowed Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 178.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.494 ' N ' ' C ' ' A' ' 42' ' ' SER . 86.8 t80 -51.47 -41.76 61.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.706 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.05 -42.08 84.66 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.055 -1.058 . . . . 0.0 108.89 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -67.35 -33.04 74.4 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.026 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.595 ' O ' ' C ' ' A' ' 48' ' ' GLN . . . -58.92 -33.27 70.38 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -175.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.621 ' O ' HG12 ' A' ' 51' ' ' VAL . 94.1 mt-30 15.82 -126.84 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 118.416 0.553 . . . . 0.0 111.604 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -59.02 -31.62 68.99 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.078 0.466 . . . . 0.0 110.371 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 47' ' ' ALA . 92.4 m-20 -55.42 -31.13 61.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.006 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.645 ' O ' HG12 ' A' ' 54' ' ' VAL . 6.0 p -52.31 -31.88 15.43 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.039 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.523 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.74 -36.29 67.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.996 0.427 . . . . 0.0 110.595 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -27.32 61.02 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.919 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.0 p -51.71 -37.45 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -64.8 -41.37 95.86 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.826 -0.749 . . . . 0.0 110.172 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.73 -39.95 95.68 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 54' ' ' VAL . 12.5 m -71.31 -30.82 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 120.031 -0.668 . . . . 0.0 112.334 -177.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.0 mmm -57.06 -37.98 72.6 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.856 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -60.78 -44.83 96.29 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.104 -0.639 . . . . 0.0 111.688 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.81 -41.03 79.23 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.322 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -67.55 -38.03 83.57 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 120.684 -0.406 . . . . 0.0 112.08 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.542 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 45.6 t0 -88.71 108.35 19.43 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.52 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.15 -34.68 78.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.456 0.646 . . . . 0.0 109.267 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -58.67 -39.14 79.81 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.037 -178.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.43 8.06 85.56 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 107.896 -2.081 . . . . 0.0 107.896 -177.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.663 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 44.5 p30 -63.27 -33.82 76.33 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 114.07 -1.065 . . . . 0.0 112.995 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.663 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.82 -6.02 66.93 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.51 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 59.2 mp0 -112.21 156.24 22.66 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.9 m -124.05 151.54 29.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 122.237 1.017 . . . . 0.0 113.275 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 55.9 t0 -104.3 163.27 12.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 113.369 -1.741 . . . . 0.0 108.646 178.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.494 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 74.1 t80 -51.2 -42.26 60.78 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.225 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -59.52 -41.93 91.1 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.167 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.415 ' O ' HG22 ' A' ' 76' ' ' VAL . 91.4 mt-10 -65.8 -38.41 88.89 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.876 -0.729 . . . . 0.0 110.065 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -61.78 -41.58 97.9 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.943 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.773 HG13 ' HB1' ' B' ' 79' ' ' ALA . 1.4 t -60.02 -45.02 95.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.03 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 73' ' ' GLU . 26.7 m -71.24 -34.85 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.986 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.78 ' C ' HD13 ' A' ' 77' ' ' LEU . 2.8 tm? -58.98 -44.79 91.62 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.047 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 m -72.83 -37.37 54.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.469 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.774 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -63.46 -43.31 97.7 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.821 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.39 99.78 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.641 0.734 . . . . 0.0 110.176 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.0 -39.37 94.57 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.52 -178.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.532 HG23 ' CG ' ' B' ' 8' ' ' MET . 43.5 m -54.75 -37.14 65.6 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.492 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 70.9 t -59.13 -34.1 52.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.968 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.1 -36.77 75.71 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.29 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.1 mmm -57.99 -38.01 75.31 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.634 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -59.69 -43.8 93.9 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.303 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -64.69 -45.98 84.33 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.116 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -67.41 -36.66 81.73 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.204 0.526 . . . . 0.0 111.502 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -53.99 -39.26 65.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.052 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.34 -34.67 61.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.07 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -57.56 -33.24 67.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.396 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -103.54 136.88 42.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.9 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.548 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -69.56 161.32 29.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.672 0.272 . . . . 0.0 110.381 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -61.92 -37.57 85.15 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.835 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 16.5 tp -61.49 -43.08 99.5 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.053 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.4 -42.35 87.99 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.073 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 41.3 m -61.52 -42.81 99.37 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.921 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.443 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -67.15 -41.39 86.11 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.968 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.532 ' CG ' HG23 ' A' ' 82' ' ' THR . 62.9 ttp -63.08 -44.81 94.72 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.3 -31.52 67.58 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.054 0.454 . . . . 0.0 110.105 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.446 HG21 ' HB2' ' A' ' 7' ' ' ALA . 36.7 m -56.23 -36.29 68.33 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.815 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.1 -42.64 98.9 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 118.532 -1.267 . . . . 0.0 110.764 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.08 -44.44 91.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.955 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -61.22 -41.56 97.07 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.436 -0.506 . . . . 0.0 112.032 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -73.87 -38.84 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 119.775 -0.77 . . . . 0.0 110.6 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.56 ' CE1' HD22 ' B' ' 28' ' ' LEU . 65.2 t80 -63.29 -49.38 74.24 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.359 178.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.59 -46.87 83.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.165 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.73 87.53 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.602 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.616 ' NE2' ' O ' ' B' ' 32' ' ' GLU . 85.7 t60 -64.17 -47.45 79.8 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.633 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 82.6 p -63.39 -35.7 81.27 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.952 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.16 94.06 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 121.1 -0.572 . . . . 0.0 112.331 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -59.95 -41.97 93.02 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.545 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -127.68 151.52 48.85 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.921 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.11 -162.73 42.69 Favored Glycine 0 C--N 1.331 0.305 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 178.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.46 136.96 47.86 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -61.24 -39.64 91.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.208 0.528 . . . . 0.0 110.425 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -68.0 -33.86 75.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -115.72 146.69 41.66 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' B' ' 15' ' ' PHE . 17.6 tp -107.16 131.75 53.8 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.005 178.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -104.6 151.94 23.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.91 -37.91 72.09 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 118.996 -1.081 . . . . 0.0 110.697 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -55.11 -40.73 70.79 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 118.805 -1.158 . . . . 0.0 108.014 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.616 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 96.4 mt-10 -67.66 -38.76 84.23 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.506 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.82 -46.25 85.93 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -59.73 -44.02 93.96 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.556 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -64.12 -41.06 97.37 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.454 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.542 HD13 ' CG ' ' B' ' 18' ' ' HIS . 35.0 tp -65.44 -45.05 85.34 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 119.852 -0.739 . . . . 0.0 112.237 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -69.63 -42.58 74.12 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.789 -0.765 . . . . 0.0 112.138 -179.783 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -64.47 -43.28 94.7 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.669 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.6 m -71.2 -42.37 69.08 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.439 ' O ' ' OG ' ' A' ' 2' ' ' SER . 77.3 mm-40 -74.58 -32.8 62.5 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.612 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 22.2 tp -100.21 123.68 44.74 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 119.648 -0.821 . . . . 0.0 112.081 -177.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.504 ' C ' ' N ' ' B' ' 44' ' ' PHE . 86.2 p -62.11 -27.46 68.94 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.758 0.79 . . . . 0.0 109.084 178.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.612 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -49.05 -14.32 0.44 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 178.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.504 ' N ' ' C ' ' B' ' 42' ' ' SER . 86.5 t80 -51.46 -41.71 61.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.17 -42.03 85.12 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.875 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -67.32 -33.1 74.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.958 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.599 ' O ' ' C ' ' B' ' 48' ' ' GLN . . . -58.86 -33.31 70.33 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.627 ' O ' HG12 ' B' ' 51' ' ' VAL . 94.1 mt-30 15.8 -126.74 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.398 0.544 . . . . 0.0 111.601 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -59.11 -31.56 69.04 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.054 0.454 . . . . 0.0 110.382 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' B' ' 47' ' ' ALA . 92.3 m-20 -55.44 -31.04 61.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.986 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.642 ' O ' HG12 ' B' ' 54' ' ' VAL . 6.1 p -52.41 -31.9 15.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.447 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.75 -36.29 67.14 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.921 0.391 . . . . 0.0 110.469 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.96 -27.22 60.99 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.943 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.642 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.0 p -51.86 -37.41 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -64.73 -41.32 96.03 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.323 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -62.73 -39.99 95.8 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.407 HG22 ' O ' ' B' ' 54' ' ' VAL . 12.2 m -71.24 -30.81 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 120.105 -0.638 . . . . 0.0 112.356 -177.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.9 mmm -57.13 -37.97 72.78 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.869 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -60.75 -44.86 96.18 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.665 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.72 -41.18 79.42 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.366 -0.533 . . . . 0.0 112.293 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -67.43 -38.04 83.93 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.669 -0.413 . . . . 0.0 112.112 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.544 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 45.8 t0 -88.68 108.28 19.38 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.561 -179.123 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.19 -34.62 77.91 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -58.65 -39.16 79.8 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.105 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.48 8.08 85.67 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 107.873 -2.091 . . . . 0.0 107.873 -177.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.67 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 44.6 p30 -63.33 -33.82 76.35 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 114.042 -1.079 . . . . 0.0 112.961 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.67 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.85 -5.96 66.8 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.484 -1.447 . . . . 0.0 109.484 -178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.525 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 59.2 mp0 -112.27 156.23 22.74 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.3 m -124.06 151.57 29.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 122.271 1.034 . . . . 0.0 113.264 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 55.9 t0 -104.3 163.28 12.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 113.357 -1.747 . . . . 0.0 108.615 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.52 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 73.8 t80 -51.14 -42.36 60.69 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.184 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -59.54 -41.87 91.03 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.214 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.407 ' O ' HG22 ' B' ' 76' ' ' VAL . 91.4 mt-10 -65.66 -38.64 89.89 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.12 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -61.64 -41.56 97.67 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.021 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.774 HG13 ' HB1' ' A' ' 79' ' ' ALA . 1.4 t -60.0 -45.0 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.042 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.407 HG22 ' O ' ' B' ' 73' ' ' GLU . 26.8 m -71.24 -34.9 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 119.528 -0.869 . . . . 0.0 110.029 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.788 ' C ' HD13 ' B' ' 77' ' ' LEU . 2.8 tm? -58.89 -44.88 91.25 Favored 'General case' 0 C--N 1.339 0.121 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.091 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.0 m -72.83 -37.36 54.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 119.766 -0.773 . . . . 0.0 111.412 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.773 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -63.41 -43.36 97.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.39 99.81 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.698 0.761 . . . . 0.0 110.164 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.94 -39.36 94.38 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.609 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.528 HG23 ' CG ' ' A' ' 8' ' ' MET . 43.6 m -54.67 -37.19 65.43 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.537 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.0 -34.25 52.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.006 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.07 -36.71 75.53 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.288 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 89.1 mmm -57.98 -38.05 75.35 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.649 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -59.6 -43.9 93.58 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.333 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -64.65 -46.0 84.39 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.132 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -67.24 -36.75 82.3 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.216 0.532 . . . . 0.0 111.537 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -54.08 -39.26 66.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.967 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.3 -34.62 61.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.088 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -57.58 -33.27 68.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.368 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.59 137.0 42.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.554 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 m -62.75 153.9 31.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 110.569 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.56 -37.52 84.1 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.732 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.0 tp -60.96 -42.52 98.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.843 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.59 ' OE2' ' N ' ' B' ' 42' ' ' SER . 97.4 mt-10 -67.4 -39.57 85.57 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.829 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -61.41 -43.39 98.95 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.919 -0.712 . . . . 0.0 110.677 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.65 -42.0 78.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.449 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.524 ' CG ' HG23 ' B' ' 82' ' ' THR . 63.7 ttp -62.95 -44.06 97.09 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -178.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.53 ' OE1' HD12 ' A' ' 12' ' ' ILE . 76.6 mm-40 -58.84 -31.18 68.27 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 120.926 0.393 . . . . 0.0 110.102 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.8 m -56.14 -36.35 68.17 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.252 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.4 mt -60.95 -40.64 94.09 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.606 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.53 HD12 ' OE1' ' A' ' 9' ' ' GLU . 80.6 mt -63.58 -47.6 90.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.503 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -60.89 -40.97 95.07 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.566 -0.453 . . . . 0.0 112.176 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -73.22 -38.75 55.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.013 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -61.93 -51.8 66.65 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 119.591 -0.843 . . . . 0.0 110.697 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -65.18 -45.47 84.72 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 113.024 0.749 . . . . 0.0 113.024 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.13 -52.42 55.38 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.656 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.576 ' CG ' HD13 ' A' ' 36' ' ' LEU . 64.2 m80 -63.35 -45.03 93.08 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.119 -0.633 . . . . 0.0 111.841 179.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.4 p -63.58 -35.04 79.18 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.709 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.27 -40.61 94.79 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.68 -38.45 81.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.38 -0.41 . . . . 0.0 111.737 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.465 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 77.6 mm-40 -116.19 152.69 33.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.072 0.463 . . . . 0.0 111.627 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 22' ' ' GLU . . . 39.79 -161.83 0.01 OUTLIER Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.76 136.08 48.64 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.418 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -60.53 -39.32 87.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.076 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -64.18 -33.5 75.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.926 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -116.47 143.08 46.04 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.59 0.709 . . . . 0.0 112.119 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.556 HD12 ' OE1' ' A' ' 32' ' ' GLU . 14.4 tp -106.62 131.05 54.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.724 178.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 t -101.86 147.27 26.71 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -55.99 -36.35 67.78 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 118.685 -1.206 . . . . 0.0 110.023 -178.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -55.53 -40.79 72.27 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 118.722 -1.191 . . . . 0.0 108.097 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.556 ' OE1' HD12 ' A' ' 28' ' ' LEU . 96.8 mt-10 -65.92 -36.67 84.02 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.64 -45.75 88.8 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.484 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.53 -43.79 93.36 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 118.817 -1.153 . . . . 0.0 110.401 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.88 -41.31 87.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.087 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD13 ' CG ' ' A' ' 18' ' ' HIS . 38.7 tp -65.8 -47.26 75.71 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.065 -0.654 . . . . 0.0 112.066 -178.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -70.28 -40.76 74.14 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.146 -0.621 . . . . 0.0 111.647 179.569 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -63.46 -46.71 84.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.272 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -71.66 -43.88 65.26 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.75 -33.02 62.26 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.555 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.2 tp -99.52 140.24 33.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.276 0.56 . . . . 0.0 111.954 -177.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.604 ' O ' ' N ' ' A' ' 44' ' ' PHE . 24.0 t -51.57 -26.62 9.01 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.555 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -45.49 -8.93 0.02 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.604 ' N ' ' O ' ' A' ' 42' ' ' SER . 48.1 t80 -48.71 -42.5 35.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.42 -36.67 78.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.44 0.638 . . . . 0.0 109.366 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' GLY . 58.8 t0 -80.23 10.91 3.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.922 -1.036 . . . . 0.0 110.739 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.537 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -61.69 -10.38 8.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.466 -178.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.604 ' O ' HG22 ' A' ' 51' ' ' VAL . 94.0 mt-30 -49.34 -162.85 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.382 0.61 . . . . 0.0 111.951 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -54.73 -20.64 8.78 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.352 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -53.58 -33.42 54.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.27 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 54' ' ' VAL . 22.5 m -57.61 -17.05 6.6 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.78 -178.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -56.2 -35.86 67.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.137 0.494 . . . . 0.0 109.76 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.16 -26.95 61.42 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.881 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.7 p -52.13 -36.85 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.318 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.47 -42.1 98.6 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.215 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.01 -39.92 95.18 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -71.36 -30.1 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.0 mmm -55.05 -35.68 64.76 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -58.33 -41.98 85.78 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.959 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.12 -40.02 86.75 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.428 -0.509 . . . . 0.0 112.275 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -67.74 -38.13 83.09 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.469 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -91.18 70.78 6.22 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.386 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.91 -35.1 77.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.642 HD21 ' CG ' ' A' ' 66' ' ' ASP . 43.2 p-10 -64.62 -31.22 72.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.91 178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.58 11.2 69.01 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.119 -0.562 . . . . 0.0 111.934 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.667 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 56.8 p30 -61.28 -34.66 75.56 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.667 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 91.76 -0.34 73.32 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -178.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.456 ' H ' ' CG ' ' A' ' 66' ' ' ASP . 96.0 mt-10 -113.62 158.09 21.27 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.624 -0.788 . . . . 0.0 109.376 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -106.18 131.96 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.285 0.564 . . . . 0.0 110.679 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -100.99 157.52 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.132 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -52.78 -41.31 63.98 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.456 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.407 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.8 tt0 -59.05 -41.55 88.14 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.374 178.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' HG22 ' A' ' 76' ' ' VAL . 96.2 mt-10 -67.86 -38.45 83.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.408 0.623 . . . . 0.0 110.422 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -63.06 -46.06 89.25 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.4 p -60.56 -39.84 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.959 -178.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.3 m -74.84 -33.05 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 120.231 -0.588 . . . . 0.0 109.506 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.62 -44.43 89.95 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.688 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.57 -33.87 46.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.158 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.99 86.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.73 93.75 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.298 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.95 -37.46 87.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.03 0.443 . . . . 0.0 110.171 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.538 HG23 ' CG ' ' B' ' 8' ' ' MET . 55.0 m -54.18 -37.08 64.09 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.499 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.32 -35.54 58.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.776 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.33 88.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.499 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.48 -40.07 77.78 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -58.69 -43.81 90.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.373 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -63.03 -41.37 99.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.576 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -65.99 -35.1 79.66 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.659 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -53.17 -39.3 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.919 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -54.54 -35.09 62.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.735 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.53 -32.39 72.44 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.486 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -102.53 136.59 42.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.606 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.597 -179.896 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -62.79 153.93 31.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.563 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.8 -37.34 84.01 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.686 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 19.1 tp -60.98 -42.55 98.58 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.781 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.583 ' OE2' ' N ' ' A' ' 42' ' ' SER . 97.4 mt-10 -67.49 -39.45 85.21 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.727 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.3 m -61.5 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.629 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.64 -41.98 78.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.414 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.538 ' CG ' HG23 ' A' ' 82' ' ' THR . 63.7 ttp -63.02 -44.02 97.11 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.528 ' OE1' HD12 ' B' ' 12' ' ' ILE . 76.6 mm-40 -58.82 -31.22 68.27 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.005 0.431 . . . . 0.0 110.153 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.6 m -56.17 -36.27 68.14 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.355 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.94 -40.68 94.19 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.213 -0.995 . . . . 0.0 110.601 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.528 HD12 ' OE1' ' B' ' 9' ' ' GLU . 81.0 mt -63.63 -47.53 90.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.486 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.88 -40.87 94.65 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.51 -0.476 . . . . 0.0 112.234 -178.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 m -73.35 -38.67 54.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 119.992 -0.683 . . . . 0.0 111.008 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -61.88 -51.92 66.23 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.617 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -65.06 -45.6 84.67 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -52.48 55.78 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 119.801 -0.76 . . . . 0.0 111.731 -178.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.582 ' CG ' HD13 ' B' ' 36' ' ' LEU . 64.6 m80 -63.29 -45.08 93.08 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.903 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.6 p -63.55 -35.09 79.34 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.751 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.22 -40.57 94.87 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -59.61 -38.53 81.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.478 -0.361 . . . . 0.0 111.745 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.458 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 77.8 mm-40 -116.2 152.72 33.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.038 0.447 . . . . 0.0 111.595 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' B' ' 22' ' ' GLU . . . 39.74 -161.89 0.01 OUTLIER Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.79 136.1 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.428 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -60.53 -39.31 87.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.064 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -64.2 -33.43 75.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.939 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -116.51 143.16 45.94 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.591 0.71 . . . . 0.0 112.045 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.56 HD12 ' OE1' ' B' ' 32' ' ' GLU . 14.5 tp -106.69 131.04 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.662 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.6 t -101.88 147.31 26.67 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -55.85 -36.37 67.46 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 118.662 -1.215 . . . . 0.0 110.135 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -55.55 -40.64 72.16 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 118.706 -1.198 . . . . 0.0 108.168 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.56 ' OE1' HD12 ' B' ' 28' ' ' LEU . 96.8 mt-10 -65.98 -36.7 84.03 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.72 -45.64 89.03 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.517 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -59.65 -43.75 93.77 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 118.82 -1.152 . . . . 0.0 110.362 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.92 -41.33 87.23 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.059 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.582 HD13 ' CG ' ' B' ' 18' ' ' HIS . 38.5 tp -65.66 -47.36 75.81 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 120.048 -0.661 . . . . 0.0 112.097 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -70.16 -40.75 74.53 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.742 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -63.42 -46.67 85.27 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.956 -0.697 . . . . 0.0 111.288 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.1 m -71.74 -43.94 64.95 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.72 -33.0 62.3 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.553 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.3 tp -99.67 140.31 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.293 0.568 . . . . 0.0 111.86 -177.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.61 ' O ' ' N ' ' B' ' 44' ' ' PHE . 23.9 t -51.67 -26.56 9.37 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.553 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -45.51 -8.91 0.02 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.61 ' N ' ' O ' ' B' ' 42' ' ' SER . 48.2 t80 -48.74 -42.44 35.32 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.37 -36.74 78.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.406 0.622 . . . . 0.0 109.368 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' B' ' 43' ' ' GLY . 58.8 t0 -80.25 10.99 3.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.788 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.528 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -61.74 -10.34 8.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.473 -178.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.603 ' O ' HG22 ' B' ' 51' ' ' VAL . 94.0 mt-30 -49.36 -162.76 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.369 0.604 . . . . 0.0 111.992 -179.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -54.79 -20.73 9.17 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.373 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.43 -33.49 54.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.324 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.674 ' O ' HG12 ' B' ' 54' ' ' VAL . 22.6 m -57.53 -17.11 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.745 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -56.19 -35.87 67.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.119 0.485 . . . . 0.0 109.774 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.16 -26.87 61.29 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.858 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.674 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.6 p -52.15 -36.95 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.279 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.47 -42.0 98.59 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.32 -0.952 . . . . 0.0 110.194 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.13 -39.74 94.68 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -71.43 -30.18 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 92.9 mmm -55.03 -35.64 64.65 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -58.36 -42.04 86.08 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.984 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.05 -40.03 87.05 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.277 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' B' ' 61' ' ' LEU . 0.5 OUTLIER -67.72 -38.18 83.23 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.485 179.8 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -91.08 70.76 6.31 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.471 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.89 -35.14 77.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.66 HD21 ' CG ' ' B' ' 66' ' ' ASP . 43.5 p-10 -64.61 -31.19 72.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.949 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.62 11.05 69.16 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 121.059 -0.591 . . . . 0.0 111.906 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.66 ' CG ' HD21 ' B' ' 64' ' ' ASN . 56.7 p30 -61.12 -34.71 75.41 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.657 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 91.82 -0.32 73.1 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.46 ' H ' ' CG ' ' B' ' 66' ' ' ASP . 96.1 mt-10 -113.68 158.18 21.22 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 114.602 -0.799 . . . . 0.0 109.332 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -106.25 131.97 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.365 0.602 . . . . 0.0 110.532 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -101.02 157.46 16.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.215 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -52.71 -41.32 63.81 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.481 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.404 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.7 tt0 -58.99 -41.64 88.1 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.435 178.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.407 ' O ' HG22 ' B' ' 76' ' ' VAL . 96.2 mt-10 -67.9 -38.42 82.96 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.403 178.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -63.04 -46.12 89.05 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.404 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.3 p -60.58 -39.78 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.964 -178.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.407 HG22 ' O ' ' B' ' 73' ' ' GLU . 33.3 m -74.84 -33.02 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 120.281 -0.568 . . . . 0.0 109.577 178.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.62 -44.52 89.98 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.685 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.55 -33.76 45.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.199 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.01 87.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.655 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.91 94.27 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.333 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.84 -37.48 87.54 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.212 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.524 HG23 ' CG ' ' A' ' 8' ' ' MET . 55.7 m -54.14 -37.23 64.14 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 87.7 t -59.1 -35.65 58.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.874 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.23 88.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.452 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.46 -40.18 77.96 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -58.57 -43.86 89.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.39 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -63.03 -41.38 99.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.567 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -65.99 -35.07 79.59 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.646 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.29 -39.23 63.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.826 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -54.54 -35.06 62.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.778 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.53 -32.38 72.43 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.501 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -102.55 136.66 41.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.515 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.607 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' B' ' 40' ' ' GLU . 61.7 m -62.75 153.51 32.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.755 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.92 -36.36 81.12 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.888 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.2 tp -60.38 -42.96 96.96 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.224 0.535 . . . . 0.0 109.833 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.85 -42.24 86.05 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -61.48 -43.17 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.032 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.0 -41.3 82.48 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.969 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.48 ' CG ' HG23 ' B' ' 82' ' ' THR . 63.8 ttp -62.51 -43.15 99.52 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.69 -31.28 68.08 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.277 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.5 m -55.99 -36.14 67.54 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.267 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.15 -40.6 94.47 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.972 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.9 -48.17 85.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.407 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -61.28 -41.28 96.68 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.538 -0.465 . . . . 0.0 112.253 -178.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.57 ' HB ' ' CE1' ' A' ' 18' ' ' HIS . 18.0 m -72.5 -39.31 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.381 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.86 -46.2 90.03 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.892 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.02 -49.34 75.0 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.933 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -45.86 83.63 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.706 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.57 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 35.8 m80 -61.7 -46.21 90.65 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.239 -0.585 . . . . 0.0 111.32 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.5 p -63.79 -36.55 84.27 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.231 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.08 -39.15 96.12 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.867 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -59.61 -41.3 90.08 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.467 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -125.12 149.86 47.45 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.946 0.403 . . . . 0.0 111.799 -179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.84 -154.51 4.77 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -74.47 133.53 42.36 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.173 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.05 -40.93 95.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.244 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -65.67 -32.87 74.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.05 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -116.37 143.02 46.08 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 112.497 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -108.1 132.05 53.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.068 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.9 t -102.29 150.39 23.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.685 0.279 . . . . 0.0 110.486 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -54.35 -40.45 68.09 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.112 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -60.04 -42.31 94.17 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.622 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.467 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 97.3 mt-10 -65.81 -38.22 88.37 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.156 0.503 . . . . 0.0 110.184 178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.9 tp -62.15 -42.76 99.56 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.596 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.64 ' HZ3' HG21 ' A' ' 54' ' ' VAL . 12.4 tppt? -62.23 -47.47 84.25 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.054 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -63.83 -39.47 94.29 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.144 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 18' ' ' HIS . 14.7 tp -67.51 -56.83 7.96 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 tp -68.8 -40.86 79.38 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.714 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HB2' HE21 ' A' ' 38' ' ' GLN . 6.8 tp-100 -62.7 -44.89 95.06 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.714 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.7 m -70.93 -44.37 66.29 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 113.242 0.831 . . . . 0.0 113.242 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.47 ' O ' ' OG ' ' B' ' 2' ' ' SER . 77.1 mm-40 -75.1 -30.7 60.96 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 16.9 tp -94.5 139.73 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.069 0.461 . . . . 0.0 111.307 -177.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.589 ' O ' ' N ' ' A' ' 44' ' ' PHE . 23.8 t -52.64 -27.37 16.89 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.51 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -45.58 -10.53 0.02 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.589 ' N ' ' O ' ' A' ' 42' ' ' SER . 62.0 t80 -50.24 -41.84 50.86 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.086 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.1 mt -59.96 -32.67 71.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.852 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.659 ' C ' ' H ' ' A' ' 48' ' ' GLN . 89.0 m-20 -81.42 9.52 7.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.716 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.22 18.85 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.659 ' H ' ' C ' ' A' ' 46' ' ' ASP . 93.8 mt-30 -71.38 -165.8 0.16 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.975 0.417 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -56.73 -24.11 47.31 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.626 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -51.49 -32.75 28.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.601 ' O ' HG12 ' A' ' 54' ' ' VAL . 42.9 t -49.83 -40.34 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.149 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.81 -35.42 66.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.97 0.414 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.4 -26.89 54.68 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.982 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.64 HG21 ' HZ3' ' A' ' 34' ' ' LYS . 5.4 p -51.73 -36.81 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.967 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 54' ' ' VAL . 56.6 t0 -65.8 -45.22 83.2 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.357 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -63.34 -41.1 98.85 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.1 m -72.51 -29.58 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.747 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.8 ttt -54.51 -39.91 68.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.798 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -60.29 -39.36 86.65 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.325 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.05 -42.25 94.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.531 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.31 -38.83 85.59 Favored 'General case' 0 CA--C 1.521 -0.138 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.337 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.525 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 64.3 t0 -90.91 110.3 21.53 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.564 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.35 -33.49 75.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.15 0.5 . . . . 0.0 110.176 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -57.06 -39.05 74.16 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.066 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.99 4.51 67.61 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 108.126 -1.99 . . . . 0.0 108.126 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.8 p30 -63.58 -33.54 75.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.316 -0.942 . . . . 0.0 112.865 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.653 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.23 -0.06 63.64 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -102.83 143.55 32.3 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.56 132.49 49.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-O 121.683 0.754 . . . . 0.0 112.262 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 58.2 t0 -109.4 155.51 21.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.376 -1.284 . . . . 0.0 108.992 178.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.489 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 81.8 t80 -52.39 -41.34 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.12 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.47 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.6 tt0 -57.8 -40.47 80.0 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.064 -0.655 . . . . 0.0 110.291 178.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' O ' HG22 ' A' ' 76' ' ' VAL . 95.1 mt-10 -67.28 -38.32 84.87 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.282 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.69 -45.19 91.18 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.532 HG13 ' HB1' ' B' ' 79' ' ' ALA . 3.2 p -60.35 -39.2 80.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.769 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 73' ' ' GLU . 28.4 m -76.26 -33.48 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.159 -0.617 . . . . 0.0 109.965 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.436 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 9.6 tt -60.97 -41.66 96.81 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 75' ' ' VAL . 22.2 m -72.37 -32.45 42.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 CA-C-O 121.319 0.581 . . . . 0.0 110.745 179.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.534 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -61.31 -36.66 80.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.934 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.44 94.07 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.581 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.495 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.5 mp -65.3 -37.32 86.78 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.126 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.471 HG23 ' CG ' ' B' ' 8' ' ' MET . 58.3 m -53.75 -37.4 63.34 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.377 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.4 t -59.77 -34.52 55.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.391 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.61 77.15 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.195 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.4 mmm -60.48 -37.25 80.46 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.924 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -59.63 -45.46 91.9 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.912 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -66.58 -44.46 82.17 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.121 0.486 . . . . 0.0 111.537 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -62.82 -42.56 99.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.03 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -53.02 -39.26 63.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.158 -177.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.77 -35.21 63.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.518 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.05 -32.83 73.39 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.607 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -100.84 120.58 40.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.616 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.551 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 61.3 m -62.65 153.4 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.793 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.78 -36.49 81.23 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.879 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 19.3 tp -60.32 -43.1 96.69 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.735 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.68 -42.38 86.61 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 42.8 m -61.4 -43.17 99.34 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.911 -0.715 . . . . 0.0 111.096 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.3 82.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.471 ' CG ' HG23 ' A' ' 82' ' ' THR . 63.9 ttp -62.53 -43.13 99.56 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.54 -31.54 68.04 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.038 0.447 . . . . 0.0 110.246 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.7 m -55.87 -36.16 67.3 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.336 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.14 -40.62 94.52 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.244 -0.983 . . . . 0.0 110.927 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -64.8 -48.18 85.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.415 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.35 -41.21 96.68 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.515 -0.474 . . . . 0.0 112.251 -178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.566 ' HB ' ' CE1' ' B' ' 18' ' ' HIS . 18.1 m -72.37 -39.5 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 119.827 -0.749 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.78 -46.21 89.88 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 119.925 -0.71 . . . . 0.0 109.9 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.04 -49.37 74.83 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.869 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.97 83.47 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.685 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.566 ' CE1' ' HB ' ' B' ' 14' ' ' VAL . 35.8 m80 -61.71 -46.21 90.63 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.265 -0.574 . . . . 0.0 111.275 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.6 p -63.88 -36.41 83.82 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.941 -0.704 . . . . 0.0 110.24 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.24 96.04 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.804 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -59.54 -41.32 89.77 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.461 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -125.16 149.84 47.52 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.026 0.441 . . . . 0.0 111.756 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.86 -154.51 4.8 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -74.53 133.55 42.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.062 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.1 -40.82 95.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.291 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -65.62 -32.9 74.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.102 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -116.49 142.89 46.28 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.584 0.706 . . . . 0.0 112.459 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 tp -108.04 132.14 53.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.034 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 26.8 t -102.31 150.46 23.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.693 0.282 . . . . 0.0 110.477 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -54.36 -40.51 68.16 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.085 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -60.02 -42.29 94.02 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.642 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.461 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 97.2 mt-10 -65.8 -38.33 88.68 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.08 0.467 . . . . 0.0 110.112 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.17 -42.52 99.35 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.671 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.67 ' HZ3' HG21 ' B' ' 54' ' ' VAL . 12.4 tppt? -62.52 -47.39 84.13 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.983 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -63.78 -39.54 94.52 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.129 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.475 HD13 ' CG ' ' B' ' 18' ' ' HIS . 14.9 tp -67.42 -56.85 7.98 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 tp -68.79 -40.85 79.39 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.719 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.77 -44.9 94.96 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.659 -179.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.9 m -70.94 -44.43 66.12 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.485 ' O ' ' OG ' ' A' ' 2' ' ' SER . 77.0 mm-40 -75.04 -30.68 61.12 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.518 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 16.9 tp -94.46 139.7 30.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.11 0.481 . . . . 0.0 111.307 -177.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.596 ' O ' ' N ' ' B' ' 44' ' ' PHE . 23.6 t -52.64 -27.37 16.89 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.518 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -45.61 -10.52 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.111 -1.196 . . . . 0.0 110.111 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.596 ' N ' ' O ' ' B' ' 42' ' ' SER . 62.0 t80 -50.19 -41.84 50.19 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.077 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.09 -32.54 71.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.816 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.669 ' C ' ' H ' ' B' ' 48' ' ' GLN . 88.9 m-20 -81.43 9.52 7.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.752 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.27 18.84 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.669 ' H ' ' C ' ' B' ' 46' ' ' ASP . 93.8 mt-30 -71.33 -165.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -56.77 -24.1 47.84 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.62 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -51.46 -32.78 28.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.606 ' O ' HG12 ' B' ' 54' ' ' VAL . 43.2 t -49.84 -40.33 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.189 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.76 -35.44 66.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.015 0.436 . . . . 0.0 110.776 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.51 -26.78 55.5 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.971 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.67 HG21 ' HZ3' ' B' ' 34' ' ' LYS . 5.4 p -51.72 -36.96 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.925 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.428 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 56.4 t0 -65.66 -45.19 83.91 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.446 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -63.43 -41.02 98.67 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 21.2 m -72.55 -29.52 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.771 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.9 ttt -54.53 -39.95 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -60.21 -39.37 86.36 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.357 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.13 -42.24 94.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.514 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 70.4 mt -67.24 -38.88 85.91 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.311 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 64.3 t0 -90.93 110.33 21.57 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.613 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.35 -33.5 75.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 0.0 110.218 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -56.9 -39.26 74.09 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.065 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.03 4.54 67.88 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 108.204 -1.958 . . . . 0.0 108.204 -177.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.656 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.7 p30 -63.58 -33.45 75.63 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 114.214 -0.993 . . . . 0.0 112.952 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.656 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.23 -0.1 63.68 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -178.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -102.82 143.6 32.24 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.57 132.49 49.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 121.764 0.792 . . . . 0.0 112.21 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 58.2 t0 -109.4 155.46 21.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.276 -1.329 . . . . 0.0 108.995 178.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.485 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 82.3 t80 -52.27 -41.4 62.82 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.739 -0.784 . . . . 0.0 110.117 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.465 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.6 tt0 -57.82 -40.38 79.87 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.327 179.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.427 ' O ' HG22 ' B' ' 76' ' ' VAL . 95.1 mt-10 -67.36 -38.31 84.59 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.303 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.63 -45.36 90.63 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.534 HG13 ' HB1' ' A' ' 79' ' ' ALA . 3.0 p -60.23 -39.17 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 119.954 -0.699 . . . . 0.0 110.907 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 73' ' ' GLU . 28.3 m -76.26 -33.52 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.967 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' B' ' 81' ' ' LEU . 9.6 tt -60.86 -41.73 96.47 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.925 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.404 HG22 ' O ' ' B' ' 75' ' ' VAL . 21.9 m -72.29 -32.4 42.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 121.419 0.628 . . . . 0.0 110.882 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.532 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -61.31 -36.66 80.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.97 -179.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.5 93.89 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.563 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.496 ' H ' HD12 ' B' ' 81' ' ' LEU . 6.5 mp -65.29 -37.27 86.66 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.101 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.48 HG23 ' CG ' ' A' ' 8' ' ' MET . 58.7 m -53.81 -37.38 63.48 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.393 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.1 t -59.73 -34.49 55.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.405 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.03 -37.64 77.42 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.118 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 89.3 mmm -60.51 -37.3 80.68 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.92 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -59.57 -45.44 91.85 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.909 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -66.66 -44.49 81.7 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.14 0.495 . . . . 0.0 111.537 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -62.84 -42.48 99.75 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.051 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -53.06 -39.33 63.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.076 -177.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -54.59 -35.32 63.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.528 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.13 -32.75 73.37 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.574 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -100.95 120.63 40.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.598 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.511 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -107.66 151.82 25.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.664 0.268 . . . . 0.0 110.492 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.93 -38.21 87.59 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.641 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.52 -42.06 99.26 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 120.241 -0.584 . . . . 0.0 109.584 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.67 -41.57 99.15 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.616 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.0 m -63.75 -40.17 96.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.659 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.02 -43.9 90.93 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.367 -178.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.644 ' HB2' HG23 ' B' ' 82' ' ' THR . 15.5 ptp -64.71 -43.34 93.77 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 119.082 -1.047 . . . . 0.0 111.307 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -57.77 -31.94 67.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.066 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.4 m -56.03 -37.69 69.53 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.824 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.0 mt -62.9 -41.24 99.37 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.638 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.501 HG22 ' CD2' ' A' ' 16' ' ' HIS . 78.3 mt -64.89 -45.43 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.423 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -59.5 -43.16 93.43 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.711 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.437 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 23.3 m -72.59 -36.93 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.257 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.496 ' CE1' HD22 ' A' ' 28' ' ' LEU . 63.4 t80 -62.63 -49.14 76.35 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.086 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.501 ' CD2' HG22 ' A' ' 12' ' ' ILE . 7.4 m-70 -63.73 -48.49 76.84 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -51.42 59.1 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 119.83 -0.748 . . . . 0.0 111.973 -178.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.628 ' CG ' HD13 ' A' ' 36' ' ' LEU . 77.7 m80 -62.71 -46.57 87.48 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.68 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.8 t -60.34 -40.7 91.63 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.74 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.59 -35.89 92.49 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.948 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.94 -41.3 82.49 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.242 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.496 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -127.09 140.8 52.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.628 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.7 -166.04 53.36 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.388 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -73.0 141.99 47.73 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.86 -40.66 93.8 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.205 0.526 . . . . 0.0 110.625 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -68.0 -33.44 74.63 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -115.76 142.86 46.19 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -177.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' ' 15' ' ' PHE . 35.0 tp -108.24 132.31 53.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.748 177.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -104.28 151.94 22.81 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.449 ' HD2' HD23 ' A' ' 33' ' ' LEU . 26.3 tptp -55.89 -39.4 71.52 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.193 -179.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -59.18 -41.9 89.56 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.001 -1.08 . . . . 0.0 109.151 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.496 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.9 mt-10 -65.89 -37.37 85.95 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.456 0.646 . . . . 0.0 109.781 178.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.449 HD23 ' HD2' ' A' ' 30' ' ' LYS . 18.7 tp -61.3 -42.06 98.03 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.658 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.585 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 85.6 mttt -60.54 -43.2 97.45 Favored 'General case' 0 CA--C 1.513 -0.469 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.918 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.51 -39.25 91.62 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.96 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.628 HD13 ' CG ' ' A' ' 18' ' ' HIS . 45.3 tp -64.75 -52.65 55.88 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.949 -0.7 . . . . 0.0 112.596 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.7 mt -71.22 -36.27 71.81 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.966 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.567 HE22 ' HB2' ' A' ' 47' ' ' ALA . 67.5 tp60 -60.23 -46.62 89.14 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.574 -0.85 . . . . 0.0 110.812 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.6 m -74.82 -44.96 46.5 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.442 ' O ' ' OG ' ' B' ' 2' ' ' SER . 78.4 mm-40 -75.39 -31.29 60.39 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -176.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.667 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 17.4 tp -95.25 131.97 40.74 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -175.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.629 ' O ' ' N ' ' A' ' 44' ' ' PHE . 24.7 m -54.7 -29.56 53.41 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.667 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -44.3 -9.76 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 114.301 -1.318 . . . . 0.0 109.824 178.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.629 ' N ' ' O ' ' A' ' 42' ' ' SER . 63.7 t80 -47.07 -44.08 20.63 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -64.44 -41.81 96.36 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.456 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 43' ' ' GLY . 54.8 t0 -62.8 -34.63 77.67 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.29 179.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.576 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -29.0 -67.89 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.234 -177.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.596 ' O ' HG12 ' A' ' 51' ' ' VAL . 94.2 mt-30 32.93 -161.89 0.0 OUTLIER 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.166 0.508 . . . . 0.0 111.204 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.449 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 25.5 pttm -58.96 -29.02 66.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.445 0.641 . . . . 0.0 109.335 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.76 -33.21 55.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.174 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 54' ' ' VAL . 6.2 p -52.85 -32.95 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.934 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.2 p30 -58.95 -32.39 69.57 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.642 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.662 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -56.95 -27.52 61.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.827 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.664 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.5 p -54.06 -35.64 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.103 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.585 ' OD1' ' NZ ' ' A' ' 34' ' ' LYS . 87.3 m-20 -67.41 -44.6 78.42 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 119.812 -0.755 . . . . 0.0 112.812 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -68.82 -42.8 76.74 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 54' ' ' VAL . 2.8 p -61.72 -31.23 50.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.821 -1.082 . . . . 0.0 112.057 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.6 ttt -52.52 -37.53 57.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.82 -40.0 82.85 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.07 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.49 -40.43 85.21 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.877 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 61' ' ' LEU . 7.4 mp -68.63 -38.11 80.26 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.572 ' OD2' ' N ' ' A' ' 65' ' ' GLY . 23.5 t70 -84.6 100.62 11.54 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 119.454 -0.898 . . . . 0.0 111.029 -179.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.36 -34.74 76.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.294 0.569 . . . . 0.0 110.446 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -57.38 -37.98 73.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.811 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.572 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 79.23 4.91 89.16 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 107.819 -2.112 . . . . 0.0 107.819 -177.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.674 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.9 p30 -63.25 -34.47 77.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.201 -0.999 . . . . 0.0 112.806 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.674 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 93.44 -0.26 68.06 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -111.92 153.28 26.96 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.256 -0.472 . . . . 0.0 109.765 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.6 t -108.02 133.7 52.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.443 0.64 . . . . 0.0 111.633 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 55.3 t0 -101.45 155.68 17.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.099 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 76.3 t80 -52.05 -42.77 63.4 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.44 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -59.06 -40.56 85.55 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.366 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.52 -38.4 90.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.343 0.592 . . . . 0.0 109.804 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -63.21 -41.08 99.09 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.242 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.746 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.9 OUTLIER -60.23 -45.69 95.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.751 -179.31 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.83 -33.85 53.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.913 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.9 tp -58.22 -48.84 79.12 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.91 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.81 -33.6 31.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.746 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -60.81 -40.17 91.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.408 -178.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.06 96.22 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.979 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.7 -37.5 87.57 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.248 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.619 HG23 ' HB2' ' B' ' 8' ' ' MET . 58.5 m -53.59 -38.38 63.88 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.245 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 80.1 t -61.44 -34.55 61.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.642 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.05 85.64 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.914 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.9 ttp -57.16 -39.63 75.63 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.485 -0.886 . . . . 0.0 108.741 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -59.03 -41.49 87.94 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.54 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.93 -43.42 98.66 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.501 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -64.63 -35.01 79.64 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.932 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.34 -39.43 64.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.298 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.25 -34.9 61.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.195 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.8 -33.63 68.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.35 137.18 42.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.494 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.587 179.927 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 90.3 p -107.68 151.68 25.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 0.0 110.488 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.84 -38.18 87.23 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.686 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.59 -42.05 99.33 Favored 'General case' 0 C--O 1.244 0.765 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.587 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.63 -41.54 99.08 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.676 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.1 m -63.79 -40.19 96.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.669 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.96 -43.97 90.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.356 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.619 ' HB2' HG23 ' A' ' 82' ' ' THR . 15.6 ptp -64.64 -43.43 93.69 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.326 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -57.67 -32.01 66.9 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.16 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.4 m -56.03 -37.67 69.51 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 120.229 -0.589 . . . . 0.0 109.922 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.78 -41.28 99.19 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.673 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.496 HG22 ' CD2' ' B' ' 16' ' ' HIS . 78.5 mt -64.89 -45.45 94.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.349 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -59.57 -43.12 93.69 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.611 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 m -72.56 -37.13 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.14 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.497 ' CE1' HD22 ' B' ' 28' ' ' LEU . 63.3 t80 -62.47 -49.11 76.69 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.192 179.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.496 ' CD2' HG22 ' B' ' 12' ' ' ILE . 7.4 m-70 -63.78 -48.49 76.7 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.71 -51.53 58.6 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.963 -178.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.631 ' CG ' HD13 ' B' ' 36' ' ' LEU . 77.7 m80 -62.61 -46.67 87.22 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.173 -0.611 . . . . 0.0 111.656 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.8 t -60.34 -40.65 91.44 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.741 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.51 -35.99 92.61 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.956 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -57.94 -41.26 82.4 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.292 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.49 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -127.2 140.87 51.94 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.595 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.66 -166.03 53.32 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -73.05 142.06 47.62 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.91 -40.68 94.06 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.217 0.532 . . . . 0.0 110.585 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -67.88 -33.64 75.13 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -178.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -115.63 142.84 46.2 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.497 HD22 ' CE1' ' B' ' 15' ' ' PHE . 34.8 tp -108.18 132.35 53.72 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 114.408 -1.269 . . . . 0.0 108.835 177.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -104.33 151.91 22.88 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.444 ' HD2' HD23 ' B' ' 33' ' ' LEU . 26.3 tptp -55.81 -39.47 71.37 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.172 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -59.14 -41.89 89.36 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.165 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.49 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.9 mt-10 -65.94 -37.33 85.75 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.441 0.638 . . . . 0.0 109.789 178.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.444 HD23 ' HD2' ' B' ' 30' ' ' LYS . 18.5 tp -61.23 -42.1 98.02 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.641 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.592 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 85.5 mttt -60.55 -43.24 97.43 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.855 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.49 -39.24 91.67 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.965 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.631 HD13 ' CG ' ' B' ' 18' ' ' HIS . 45.2 tp -64.82 -52.49 56.51 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 119.826 -0.75 . . . . 0.0 112.657 -178.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.4 mt -71.32 -36.13 71.47 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 119.604 -0.838 . . . . 0.0 111.97 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.568 HE22 ' HB2' ' B' ' 47' ' ' ALA . 67.3 tp60 -60.3 -46.68 89.02 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.626 -0.83 . . . . 0.0 110.813 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 50.4 m -74.77 -44.96 46.9 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -75.36 -31.42 60.51 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -176.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.683 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 17.3 tp -95.18 132.02 40.58 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -175.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.618 ' O ' ' N ' ' B' ' 44' ' ' PHE . 24.5 m -54.78 -29.54 54.51 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.683 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -44.4 -9.66 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.865 178.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.618 ' N ' ' O ' ' B' ' 42' ' ' SER . 63.9 t80 -47.1 -44.06 20.97 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.466 HD13 ' O ' ' B' ' 45' ' ' LEU . 0.2 OUTLIER -64.48 -41.81 96.25 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.483 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' B' ' 47' ' ' ALA . 54.8 t0 -62.83 -34.59 77.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.33 179.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.594 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -29.02 -67.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.261 -177.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.594 ' O ' ' O ' ' B' ' 47' ' ' ALA . 94.2 mt-30 32.95 -161.96 0.0 OUTLIER 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 111.198 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.448 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 25.5 pttm -58.91 -28.94 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.382 0.61 . . . . 0.0 109.376 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.85 -33.23 55.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.155 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.669 ' O ' HG12 ' B' ' 54' ' ' VAL . 6.2 p -52.85 -32.89 18.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.955 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.2 p30 -59.06 -32.37 69.71 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.567 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.669 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -56.96 -27.47 61.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.879 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.669 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.5 p -54.06 -35.7 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.086 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.592 ' OD1' ' NZ ' ' B' ' 34' ' ' LYS . 87.2 m-20 -67.36 -44.57 78.65 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 119.77 -0.772 . . . . 0.0 112.841 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -68.88 -42.81 76.47 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.437 HG12 ' O ' ' B' ' 54' ' ' VAL . 2.8 p -61.59 -31.4 50.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.071 -177.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.5 ttt -52.43 -37.57 57.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.802 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -58.77 -40.06 82.84 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.072 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.45 -40.45 85.4 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.336 -0.545 . . . . 0.0 111.853 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.526 ' N ' HD12 ' B' ' 61' ' ' LEU . 7.4 mp -68.59 -38.11 80.38 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.587 ' OD2' ' N ' ' B' ' 65' ' ' GLY . 23.6 t70 -84.68 100.67 11.62 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.987 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.33 -34.81 76.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.298 0.571 . . . . 0.0 110.469 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -57.36 -38.02 73.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.748 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.587 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 79.27 4.96 89.21 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 107.841 -2.104 . . . . 0.0 107.841 -177.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.671 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.1 p30 -63.23 -34.47 77.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.095 -1.052 . . . . 0.0 112.838 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.671 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 93.39 -0.15 68.05 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -178.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -111.99 153.32 26.97 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.307 -0.446 . . . . 0.0 109.82 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 42.1 t -107.98 133.6 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.376 0.608 . . . . 0.0 111.628 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 55.4 t0 -101.49 155.79 17.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.177 178.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.478 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 76.4 t80 -52.13 -42.7 63.54 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.385 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -59.2 -40.51 85.97 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.101 -0.639 . . . . 0.0 110.406 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.54 -38.4 90.89 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.791 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -63.1 -41.1 99.3 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.322 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.746 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -60.26 -45.68 95.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.692 -179.264 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.81 -33.96 54.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.865 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.9 tp -58.11 -48.89 78.82 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.963 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.96 -33.4 29.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.087 0.47 . . . . 0.0 112.257 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.746 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -60.88 -40.21 92.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.332 -178.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.94 95.92 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.923 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.5 mt -63.66 -37.51 87.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.287 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.644 HG23 ' HB2' ' A' ' 8' ' ' MET . 58.9 m -53.55 -38.47 63.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.254 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.34 -34.58 61.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.72 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.41 -38.15 86.06 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.857 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 5.9 ttp -57.03 -39.7 75.3 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 119.498 -0.881 . . . . 0.0 108.721 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -58.97 -41.48 87.64 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.539 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.91 -43.44 98.56 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.478 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -64.61 -35.04 79.73 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.88 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -53.44 -39.38 64.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.24 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.19 -34.92 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.196 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.92 -33.5 68.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.606 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -104.41 137.19 42.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.605 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.445 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 33.3 t -107.46 142.23 37.64 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.016 0.436 . . . . 0.0 110.661 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.64 -36.75 79.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.555 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.96 -42.47 98.35 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.004 -0.679 . . . . 0.0 109.857 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.874 ' OE2' HD12 ' B' ' 41' ' ' LEU . 77.2 mm-40 -67.06 -39.22 86.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.643 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -61.8 -43.03 99.66 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.931 -0.708 . . . . 0.0 110.401 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.04 -38.98 83.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.48 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.682 ' CG ' HG23 ' B' ' 82' ' ' THR . 48.2 ttm -61.02 -45.02 96.49 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.08 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.42 -31.55 67.83 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.212 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.8 m -56.52 -36.91 69.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.201 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.17 -42.31 99.15 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 118.998 -1.081 . . . . 0.0 110.659 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.0 mt -66.36 -43.34 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.02 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -60.18 -43.38 95.89 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.96 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 15' ' ' PHE . 20.6 m -74.46 -40.78 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.283 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.423 ' N ' HG23 ' A' ' 14' ' ' VAL . 65.9 t80 -63.38 -49.2 74.76 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.829 -0.749 . . . . 0.0 110.182 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -64.0 -46.88 82.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.34 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.36 -51.8 53.48 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.836 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.621 ' CG ' HD13 ' A' ' 36' ' ' LEU . 76.8 m80 -62.07 -46.62 88.33 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.069 -0.653 . . . . 0.0 111.416 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p -64.0 -35.26 80.11 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.355 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.25 -38.07 93.45 Favored Glycine 0 CA--C 1.522 0.487 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.175 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -58.92 -41.77 88.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.514 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -127.65 147.85 50.37 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.667 -179.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.61 -163.87 53.13 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 177.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -71.93 136.88 47.02 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.59 -39.2 90.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.122 0.487 . . . . 0.0 110.881 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -67.24 -33.8 76.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -119.05 150.63 39.66 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.3 tp -102.73 133.67 47.38 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 114.004 -1.453 . . . . 0.0 108.718 177.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.7 m -102.33 154.81 18.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.403 ' NZ ' ' HG3' ' A' ' 58' ' ' MET . 10.7 tptm -55.28 -42.15 73.22 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.921 -178.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -60.09 -42.04 93.77 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.127 -1.029 . . . . 0.0 109.558 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.1 mt-10 -66.56 -39.7 88.64 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.912 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.467 ' C ' HD23 ' A' ' 33' ' ' LEU . 9.7 tt -65.06 -43.03 93.61 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.868 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -60.74 -46.53 90.08 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.095 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.27 -38.8 88.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.11 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.621 HD13 ' CG ' ' A' ' 18' ' ' HIS . 48.6 tp -63.03 -45.4 92.5 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.099 -0.641 . . . . 0.0 111.846 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -70.07 -40.68 74.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.461 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -63.25 -45.12 93.03 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 119.734 -0.786 . . . . 0.0 111.306 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.1 m -70.9 -43.66 67.86 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.451 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.0 mm-40 -74.71 -32.03 62.03 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -177.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.883 HD12 ' OE2' ' B' ' 5' ' ' GLU . 14.1 tp -97.52 140.35 32.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.373 0.606 . . . . 0.0 111.787 -177.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.608 ' O ' ' N ' ' A' ' 44' ' ' PHE . 27.3 m -50.35 -27.31 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -44.47 -9.24 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.584 -1.007 . . . . 0.0 110.584 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.608 ' N ' ' O ' ' A' ' 42' ' ' SER . 58.9 t80 -49.35 -40.69 36.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.406 ' C ' ' H ' ' A' ' 47' ' ' ALA . 26.3 tp -58.31 -35.67 72.21 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 43' ' ' GLY . 89.2 m-20 -79.94 19.51 0.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.682 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -54.98 -21.88 13.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.368 -178.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.503 ' O ' ' O ' ' A' ' 47' ' ' ALA . 92.1 mm-40 -52.71 -154.6 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.3 0.571 . . . . 0.0 112.04 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 2.7 ptpp? -56.09 -24.44 40.26 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.58 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -52.6 -33.26 45.43 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.5 t -53.74 -35.47 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.256 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.9 p30 -56.91 -31.96 65.44 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.311 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.654 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -56.08 -27.07 52.11 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.329 0.585 . . . . 0.0 109.533 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 57' ' ' VAL . 73.0 t -54.1 -41.31 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.011 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.402 ' HA ' ' HZ1' ' A' ' 30' ' ' LYS . 89.5 m-20 -64.83 -43.7 92.21 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.807 -0.757 . . . . 0.0 111.878 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -63.54 -38.64 91.92 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 54' ' ' VAL . 29.1 m -69.92 -32.27 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 120.007 -0.677 . . . . 0.0 112.728 -178.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.403 ' HG3' ' NZ ' ' A' ' 30' ' ' LYS . 95.6 mmm -57.84 -40.06 79.17 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.427 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.22 -41.06 98.05 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.568 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.91 -46.23 72.17 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.796 HD22 HD12 ' A' ' 77' ' ' LEU . 6.3 mp -70.26 -39.44 74.96 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 120.004 -0.679 . . . . 0.0 112.734 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.511 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 62.9 t0 -89.37 109.2 20.13 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.658 -178.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.33 -34.36 78.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.29 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -55.58 -36.95 67.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.881 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.91 9.35 66.04 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 108.22 -1.952 . . . . 0.0 108.22 -177.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.675 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.5 p30 -62.72 -33.8 75.86 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 114.277 -0.962 . . . . 0.0 112.921 -178.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.675 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.24 -7.23 66.55 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.289 -1.525 . . . . 0.0 109.289 -178.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 58.5 mp0 -114.46 153.46 29.9 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.1 m -126.05 152.54 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 122.017 0.913 . . . . 0.0 112.813 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.3 t0 -102.95 159.76 15.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 113.77 -1.559 . . . . 0.0 108.526 178.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.493 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 74.5 t80 -51.16 -40.74 59.29 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.656 -179.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.461 ' O ' HG12 ' A' ' 75' ' ' VAL . 51.3 tt0 -58.08 -41.89 84.42 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.579 178.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 76' ' ' VAL . 94.6 mt-10 -68.41 -38.11 80.95 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.144 178.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -63.35 -44.92 93.47 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.5 p -59.93 -39.84 81.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.634 -178.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 73' ' ' GLU . 35.2 m -74.37 -32.74 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.381 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.796 HD12 HD22 ' A' ' 61' ' ' LEU . 15.7 tp -56.66 -45.61 81.57 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.314 -0.555 . . . . 0.0 110.135 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.18 -34.63 45.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.307 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.12 -37.6 85.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.934 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.68 95.96 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.126 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.0 mt -64.25 -36.97 85.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.132 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.677 HG23 ' CG ' ' B' ' 8' ' ' MET . 47.9 m -54.16 -36.77 63.7 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.68 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 70.5 t -58.64 -34.58 51.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.037 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.55 -37.48 75.79 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.29 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.2 mmm -60.61 -37.9 82.91 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.217 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -60.09 -45.86 91.52 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.694 -0.802 . . . . 0.0 111.036 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -65.9 -44.22 85.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.133 0.492 . . . . 0.0 111.476 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -62.54 -42.56 99.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.305 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -53.49 -39.01 64.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.915 -178.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -54.55 -34.87 62.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.539 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.5 -32.91 72.95 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.488 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -104.51 137.04 42.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.489 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.483 -179.929 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.451 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 33.4 t -107.55 142.38 37.55 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 110.646 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.76 -36.62 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.14 -42.33 98.35 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.0 -0.68 . . . . 0.0 109.85 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.883 ' OE2' HD12 ' A' ' 41' ' ' LEU . 77.0 mm-40 -67.2 -39.14 86.31 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.554 179.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.1 m -61.81 -43.18 99.36 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.304 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.95 83.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.432 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.677 ' CG ' HG23 ' A' ' 82' ' ' THR . 48.1 ttm -60.97 -44.97 96.58 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-O 120.96 0.409 . . . . 0.0 112.023 -178.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.47 -31.61 67.98 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.261 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.8 m -56.54 -36.89 69.78 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.182 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.19 -42.26 99.12 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 118.911 -1.116 . . . . 0.0 110.706 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.1 mt -66.34 -43.36 91.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.973 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -60.18 -43.54 95.77 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.937 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.422 HG23 ' N ' ' B' ' 15' ' ' PHE . 20.2 m -74.31 -40.82 50.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 120.039 -0.665 . . . . 0.0 111.315 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.422 ' N ' HG23 ' B' ' 14' ' ' VAL . 65.9 t80 -63.29 -49.27 74.67 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.229 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -63.96 -46.91 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.337 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.32 -51.86 53.0 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.837 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.622 ' CG ' HD13 ' B' ' 36' ' ' LEU . 76.9 m80 -62.02 -46.62 88.36 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.495 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -63.99 -35.26 80.11 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.407 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.83 93.16 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.199 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -59.07 -41.77 88.76 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.509 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.7 mm-40 -127.68 147.87 50.39 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.681 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.5 -163.94 52.92 Favored Glycine 0 C--N 1.33 0.223 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -71.82 136.95 47.24 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -61.66 -39.22 90.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 0.0 110.786 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -67.2 -33.88 76.32 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -178.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -119.01 150.67 39.56 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.4 tp -102.76 133.62 47.51 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 114.02 -1.445 . . . . 0.0 108.659 177.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.6 m -102.29 154.72 18.78 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -55.17 -42.16 72.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -60.03 -42.06 93.57 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.163 -1.015 . . . . 0.0 109.617 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.509 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.1 mt-10 -66.56 -39.79 88.69 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.916 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.472 HD23 ' C ' ' B' ' 33' ' ' LEU . 9.7 tt -65.05 -43.0 93.73 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.892 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -60.8 -46.46 90.44 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 119.456 -0.897 . . . . 0.0 111.123 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.17 -38.81 88.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.17 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.622 HD13 ' CG ' ' B' ' 18' ' ' HIS . 49.0 tp -63.2 -45.25 92.6 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.765 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -70.04 -40.76 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.422 179.313 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -63.34 -45.14 92.6 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.759 -0.777 . . . . 0.0 111.178 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 52.6 m -70.9 -43.65 67.87 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.445 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 76.9 mm-40 -74.67 -32.1 62.12 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.874 HD12 ' OE2' ' A' ' 5' ' ' GLU . 14.2 tp -97.5 140.38 32.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.371 0.605 . . . . 0.0 111.733 -177.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.601 ' O ' ' N ' ' B' ' 44' ' ' PHE . 27.7 m -50.29 -27.23 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' B' ' 46' ' ' ASP . . . -44.64 -9.09 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 178.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.601 ' N ' ' O ' ' B' ' 42' ' ' SER . 58.9 t80 -49.45 -40.61 37.56 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.432 ' C ' ' H ' ' B' ' 47' ' ' ALA . 26.2 tp -58.31 -35.74 72.31 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' B' ' 43' ' ' GLY . 89.1 m-20 -79.91 19.54 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.663 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' B' ' 44' ' ' PHE . . . -54.93 -22.0 13.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.341 -179.061 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.495 ' O ' ' O ' ' B' ' 47' ' ' ALA . 92.1 mm-40 -52.65 -154.59 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.356 0.598 . . . . 0.0 112.053 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 2.7 ptpp? -55.98 -24.58 39.55 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.588 -178.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -52.55 -33.21 44.62 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.2 t -53.73 -35.44 26.85 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.289 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.66 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 52.1 p30 -56.94 -31.95 65.49 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.397 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.66 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -56.18 -26.87 52.4 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.282 0.563 . . . . 0.0 109.511 179.196 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.418 ' O ' HG22 ' B' ' 57' ' ' VAL . 73.0 t -54.12 -41.31 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.01 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -64.8 -43.77 92.11 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 119.8 -0.76 . . . . 0.0 111.891 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -63.53 -38.62 91.81 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 54' ' ' VAL . 29.4 m -69.99 -32.16 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 119.978 -0.689 . . . . 0.0 112.78 -178.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 95.4 mmm -57.94 -39.97 79.35 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.445 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.27 -41.0 98.08 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.59 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.9 -46.22 72.21 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.79 HD22 HD12 ' B' ' 77' ' ' LEU . 6.3 mp -70.25 -39.59 74.93 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.079 -0.648 . . . . 0.0 112.717 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.524 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 62.9 t0 -89.32 109.31 20.22 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 119.467 -0.893 . . . . 0.0 111.743 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.42 -34.39 78.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.309 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -55.43 -37.02 67.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.96 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.08 9.15 66.31 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 108.188 -1.965 . . . . 0.0 108.188 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.681 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.5 p30 -62.65 -33.78 75.73 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 114.309 -0.945 . . . . 0.0 112.981 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.681 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.3 -7.12 66.35 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 58.6 mp0 -114.63 153.44 30.16 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 26.2 m -126.09 152.51 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.979 0.895 . . . . 0.0 112.826 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.6 t0 -103.0 159.76 15.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.786 -1.552 . . . . 0.0 108.429 178.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.492 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 74.8 t80 -51.11 -40.75 59.17 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.45 -0.9 . . . . 0.0 109.603 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.456 ' O ' HG12 ' B' ' 75' ' ' VAL . 51.3 tt0 -58.09 -41.92 84.5 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.597 178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.412 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.6 mt-10 -68.34 -38.04 81.1 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.576 0.703 . . . . 0.0 110.198 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -63.47 -44.91 93.07 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.456 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.4 p -59.95 -39.79 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.634 -178.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.412 HG22 ' O ' ' B' ' 73' ' ' GLU . 35.2 m -74.37 -32.94 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.355 178.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.79 HD12 HD22 ' B' ' 61' ' ' LEU . 15.7 tp -56.54 -45.59 81.09 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.135 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.25 -34.59 44.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.249 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.53 85.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.907 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.68 95.7 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.039 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.2 -36.96 85.78 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.106 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.682 HG23 ' CG ' ' A' ' 8' ' ' MET . 49.4 m -54.21 -36.8 63.85 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.628 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.7 t -58.56 -34.68 51.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.013 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.57 -37.37 75.6 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.351 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 89.4 mmm -60.63 -37.87 82.91 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.214 -0.595 . . . . 0.0 111.251 178.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -60.09 -45.87 91.47 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.078 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -65.87 -44.3 85.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.119 0.485 . . . . 0.0 111.413 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -62.53 -42.54 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.208 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -53.52 -39.06 64.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.967 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -54.48 -34.9 62.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.54 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.44 -32.89 72.87 Favored 'General case' 0 N--CA 1.461 0.087 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.558 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -104.57 137.02 43.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.44 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.531 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -62.87 154.39 30.26 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.95 0.405 . . . . 0.0 110.599 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -58.2 -37.3 74.53 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.204 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.9 tp -59.37 -42.27 91.23 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.78 -40.11 94.72 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.19 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.8 m -60.26 -42.82 96.15 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.421 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.429 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -67.36 -39.67 85.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.668 ' CG ' HG23 ' B' ' 82' ' ' THR . 47.7 ttm -60.6 -43.86 96.94 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.299 -178.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -57.93 -30.55 66.03 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.26 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.429 HG21 ' HB2' ' B' ' 7' ' ' ALA . 40.5 m -55.01 -38.34 67.77 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.997 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.9 mt -64.51 -41.18 96.57 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.576 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.425 ' CG2' ' CE1' ' A' ' 16' ' ' HIS . 76.2 mt -64.38 -45.85 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.207 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.08 -42.95 95.71 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.781 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.0 m -71.02 -36.5 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.004 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.82 -48.12 82.98 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.934 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.425 ' CE1' ' CG2' ' A' ' 12' ' ' ILE . 41.4 m80 -63.45 -47.46 81.79 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.9 -48.8 75.18 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.198 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.561 ' CG ' HD13 ' A' ' 36' ' ' LEU . 75.3 m80 -63.35 -45.94 88.89 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.466 179.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.7 m -58.95 -40.88 86.01 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.714 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.62 -37.71 93.86 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.931 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.07 -42.26 89.94 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -123.83 149.18 46.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.12 -116.79 9.61 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 109.061 -1.616 . . . . 0.0 109.061 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' C ' ' OD1' ' A' ' 24' ' ' ASP . 51.7 p30 -143.6 159.07 43.11 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 178.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -61.91 -37.94 86.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.424 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -64.34 -35.78 81.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.54 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -127.39 144.5 51.04 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.552 0.691 . . . . 0.0 112.344 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.429 HD12 ' CD ' ' A' ' 32' ' ' GLU . 12.4 tp -108.27 125.77 52.05 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.4 p -83.66 156.07 22.85 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.667 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 16.1 tptm -60.18 -44.69 94.87 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.44 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.84 -41.4 91.28 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.675 -0.81 . . . . 0.0 108.949 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.542 ' OE2' ' O ' ' A' ' 18' ' ' HIS . 84.5 tt0 -63.26 -38.34 90.79 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.864 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.746 HD22 HG21 ' A' ' 69' ' ' VAL . 18.5 tp -62.53 -43.67 98.24 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.48 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.506 ' O ' ' OE1' ' A' ' 38' ' ' GLN . 32.3 ttpt -60.24 -46.61 89.18 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.755 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.51 -38.54 91.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.605 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.561 HD13 ' CG ' ' A' ' 18' ' ' HIS . 50.3 tp -61.67 -45.58 93.39 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.697 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -69.15 -43.48 74.23 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.816 179.083 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.531 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -65.44 -42.77 92.04 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.975 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -69.86 -44.55 69.61 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 77.2 mm-40 -75.99 -31.25 58.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.532 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 14.3 tp -97.78 137.84 36.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.456 0.646 . . . . 0.0 111.92 -176.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.61 ' O ' ' N ' ' A' ' 44' ' ' PHE . 25.7 m -51.73 -28.36 14.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.126 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.532 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -44.66 -9.85 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.61 ' N ' ' O ' ' A' ' 42' ' ' SER . 66.0 t80 -49.53 -39.41 34.27 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.7 tp -56.77 -35.43 68.65 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.686 ' C ' ' H ' ' A' ' 48' ' ' GLN . 88.6 m-20 -79.88 12.61 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.309 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -55.5 19.32 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.317 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.686 ' H ' ' C ' ' A' ' 46' ' ' ASP . 81.3 mt-30 -65.21 161.77 18.6 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -53.74 -26.28 22.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.792 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.99 -35.07 63.95 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 48' ' ' GLN . 5.5 p -53.75 -19.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.763 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.0 p30 -56.54 -30.6 63.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.693 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.654 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -57.09 -27.78 62.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 51' ' ' VAL . 6.8 p -53.51 -34.94 24.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.905 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.543 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 56.2 t0 -65.02 -43.8 91.25 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.806 -0.758 . . . . 0.0 112.344 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -69.63 -44.08 71.36 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.465 0.65 . . . . 0.0 112.499 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 54' ' ' VAL . 3.9 p -62.5 -32.5 55.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.476 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.573 ' O ' ' SD ' ' A' ' 58' ' ' MET . 3.3 tmm? -55.4 -36.54 66.55 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.099 0.476 . . . . 0.0 110.526 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -58.19 -37.46 74.8 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.073 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.17 -38.85 92.52 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.449 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.575 ' N ' HD12 ' A' ' 61' ' ' LEU . 8.4 mp -67.17 -38.03 84.76 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.812 178.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.513 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 63.6 t0 -85.88 108.8 18.32 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.947 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.61 -33.22 75.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.973 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -56.07 -38.64 70.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.046 -177.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.1 5.93 81.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 108.366 -1.894 . . . . 0.0 108.366 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.655 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.4 p30 -63.29 -32.97 74.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.398 -0.901 . . . . 0.0 112.53 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.655 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.55 -3.61 63.45 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.478 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 95.9 mt-10 -112.03 151.91 28.78 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.746 HG21 HD22 ' A' ' 33' ' ' LEU . 41.3 t -111.06 133.79 55.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.563 0.697 . . . . 0.0 111.589 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -99.41 157.85 16.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.051 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -52.59 -42.14 64.26 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.095 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.443 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.5 tt0 -58.63 -41.23 85.46 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.226 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' O ' HG22 ' A' ' 76' ' ' VAL . 96.5 mt-10 -68.11 -39.0 82.89 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.387 0.613 . . . . 0.0 110.494 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.06 -45.15 90.05 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.539 HG13 ' HB1' ' B' ' 79' ' ' ALA . 4.0 p -59.94 -38.95 78.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.594 -178.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.6 m -75.96 -32.8 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.783 178.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.432 HD23 ' C ' ' A' ' 77' ' ' LEU . 10.0 tt -60.72 -41.65 95.7 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 75' ' ' VAL . 25.2 m -72.48 -32.0 40.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 121.25 0.547 . . . . 0.0 110.993 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.534 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -61.23 -36.26 79.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.131 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.1 93.26 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.525 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.5 mp -65.54 -36.46 83.86 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.144 0.497 . . . . 0.0 109.936 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.669 HG23 ' CG ' ' B' ' 8' ' ' MET . 51.4 m -53.73 -36.99 62.89 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.737 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.0 t -58.98 -34.77 53.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.094 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.26 -36.88 76.3 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.242 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 88.9 mmm -60.04 -37.58 80.21 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.011 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -60.0 -46.16 90.39 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.574 -0.851 . . . . 0.0 111.161 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -65.5 -44.36 87.25 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.025 0.441 . . . . 0.0 111.472 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -62.58 -41.83 99.18 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.405 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -53.63 -39.31 64.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.094 -177.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.27 -34.78 61.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.065 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.67 -33.24 68.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -103.64 136.98 42.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.557 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.561 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.727 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -62.83 154.37 30.15 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.596 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -58.17 -37.33 74.5 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.19 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 14.8 tp -59.27 -42.35 91.0 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.78 -40.05 94.62 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.217 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.0 m -60.23 -42.82 96.03 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.522 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.429 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -67.36 -39.57 85.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.998 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.669 ' CG ' HG23 ' A' ' 82' ' ' THR . 47.8 ttm -60.69 -43.88 97.23 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.348 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -57.85 -30.52 65.86 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.322 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.429 HG21 ' HB2' ' A' ' 7' ' ' ALA . 41.0 m -55.15 -38.22 67.98 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.057 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.2 mt -64.47 -41.23 96.62 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.06 -1.056 . . . . 0.0 110.587 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.516 HG22 ' CD2' ' B' ' 16' ' ' HIS . 75.8 mt -64.31 -45.89 94.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.221 -179.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.06 -42.95 95.61 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.799 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.411 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 24.8 m -71.08 -36.42 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.12 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.402 ' O ' ' OG ' ' B' ' 19' ' ' SER . 68.8 t80 -59.79 -48.16 82.82 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 119.338 -0.945 . . . . 0.0 109.896 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.516 ' CD2' HG22 ' B' ' 12' ' ' ILE . 94.7 m-70 -63.42 -47.46 81.82 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -48.76 75.28 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.154 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.559 ' CG ' HD13 ' B' ' 36' ' ' LEU . 75.4 m80 -63.36 -46.01 88.54 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.494 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 24.5 m -58.9 -40.78 85.51 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.789 -179.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.63 -37.8 93.95 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.9 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.1 -42.21 89.95 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -123.89 149.07 46.27 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.24 -116.8 9.66 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' B' ' 27' ' ' LYS . 51.7 p30 -143.58 159.13 43.0 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -61.91 -37.95 86.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.456 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -64.33 -35.86 82.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.527 -178.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.436 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 41.3 mtmt -127.31 144.37 51.06 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.542 0.687 . . . . 0.0 112.414 -178.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.431 HD12 ' CD ' ' B' ' 32' ' ' GLU . 12.4 tp -108.06 125.78 51.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 177.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.4 p -83.68 155.97 22.87 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.69 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 16.0 tptm -60.11 -44.64 94.71 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.548 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.91 -41.32 91.44 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 119.654 -0.818 . . . . 0.0 108.98 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.538 ' OE2' ' O ' ' B' ' 18' ' ' HIS . 84.6 tt0 -63.34 -38.28 90.52 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.832 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.738 HD22 HG21 ' B' ' 69' ' ' VAL . 18.4 tp -62.53 -43.55 98.53 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.493 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.51 ' O ' ' OE1' ' B' ' 38' ' ' GLN . 32.3 ttpt -60.4 -46.62 89.33 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.681 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.38 -38.65 91.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.658 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.559 HD13 ' CG ' ' B' ' 18' ' ' HIS . 50.3 tp -61.6 -45.6 93.4 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.682 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -69.22 -43.51 73.95 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.803 179.175 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.536 ' CD ' ' N ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -65.36 -42.79 92.41 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 119.842 -0.743 . . . . 0.0 112.069 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.4 m -69.89 -44.53 69.55 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.512 ' OE2' ' CE1' ' B' ' 18' ' ' HIS . 77.3 mm-40 -75.97 -31.29 58.95 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.53 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 14.2 tp -97.71 137.84 35.99 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.495 0.664 . . . . 0.0 111.999 -176.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.594 ' O ' ' N ' ' B' ' 44' ' ' PHE . 27.5 m -51.84 -28.28 15.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.098 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.53 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -44.61 -9.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.594 ' N ' ' O ' ' B' ' 42' ' ' SER . 65.9 t80 -49.45 -39.44 33.2 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.8 -35.4 68.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.685 ' C ' ' H ' ' B' ' 48' ' ' GLN . 88.8 m-20 -79.88 12.58 2.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.299 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' B' ' 44' ' ' PHE . . . -55.39 19.14 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.319 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.685 ' H ' ' C ' ' B' ' 46' ' ' ASP . 81.3 mt-30 -64.99 161.75 18.02 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -53.77 -26.31 23.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.764 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.05 -34.91 63.94 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.657 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.5 p -53.76 -19.44 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.669 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.641 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.0 p30 -56.44 -30.69 63.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.684 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.641 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.01 -27.82 61.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.657 HG12 ' O ' ' B' ' 51' ' ' VAL . 6.7 p -53.46 -34.93 24.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.945 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.543 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 56.4 t0 -65.1 -43.8 90.88 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.744 -0.783 . . . . 0.0 112.34 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -69.57 -44.13 71.46 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.459 0.647 . . . . 0.0 112.528 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.411 HG12 ' O ' ' B' ' 54' ' ' VAL . 3.9 p -62.45 -32.45 55.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.487 -177.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.568 ' O ' ' SD ' ' B' ' 58' ' ' MET . 3.3 tmm? -55.48 -36.5 66.68 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.104 0.478 . . . . 0.0 110.517 -179.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -58.29 -37.34 74.84 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.054 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.32 -38.78 92.25 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.365 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.581 ' N ' HD12 ' B' ' 61' ' ' LEU . 8.4 mp -67.27 -37.9 84.22 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.848 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.515 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 63.7 t0 -85.98 108.8 18.38 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.884 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.64 -33.25 75.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.003 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -55.99 -38.59 70.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.12 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.08 5.81 81.4 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.5 p30 -63.17 -33.03 74.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.307 -0.946 . . . . 0.0 112.581 -179.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.61 -3.57 63.29 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -178.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 95.9 mt-10 -112.09 151.87 28.91 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.738 HG21 HD22 ' B' ' 33' ' ' LEU . 41.2 t -111.04 133.79 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.494 0.664 . . . . 0.0 111.638 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -99.42 157.83 16.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.021 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -52.56 -42.13 64.16 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.125 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.429 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.5 tt0 -58.73 -41.12 85.67 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.281 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.423 ' O ' HG22 ' B' ' 76' ' ' VAL . 96.5 mt-10 -68.14 -38.99 82.77 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.396 0.617 . . . . 0.0 110.529 179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -64.05 -45.14 90.12 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.534 HG13 ' HB1' ' A' ' 79' ' ' ALA . 3.9 p -59.96 -38.92 78.58 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 119.774 -0.77 . . . . 0.0 110.616 -178.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 73' ' ' GLU . 32.6 m -76.03 -32.83 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.696 178.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.436 HD23 ' C ' ' B' ' 77' ' ' LEU . 10.0 tt -60.72 -41.6 95.61 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.232 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.425 HG22 ' O ' ' B' ' 75' ' ' VAL . 25.1 m -72.5 -31.92 39.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.28 0.562 . . . . 0.0 111.01 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.539 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -61.34 -36.21 79.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.125 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.12 93.23 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.039 -0.665 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.52 ' H ' HD12 ' B' ' 81' ' ' LEU . 6.5 mp -65.46 -36.45 83.94 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.161 0.505 . . . . 0.0 110.037 178.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.668 HG23 ' CG ' ' A' ' 8' ' ' MET . 50.3 m -53.81 -36.85 62.92 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.778 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.95 -34.91 54.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.085 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.93 76.1 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.317 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 88.7 mmm -60.14 -37.58 80.52 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.946 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -59.87 -46.3 89.76 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.15 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -65.39 -44.5 87.31 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.046 0.45 . . . . 0.0 111.473 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -62.54 -41.83 99.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.426 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -53.59 -39.25 64.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.119 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.32 -34.73 61.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.103 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.61 -33.35 68.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -103.6 136.9 42.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.601 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.529 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t -107.46 143.08 36.32 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.089 0.471 . . . . 0.0 110.523 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.09 -36.31 77.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.411 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.64 -42.45 96.96 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.753 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.881 ' OE2' HD12 ' B' ' 41' ' ' LEU . 77.0 mm-40 -66.88 -39.32 87.47 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.668 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.0 m -61.53 -43.13 99.42 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.405 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -68.5 -38.37 80.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.716 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.665 ' CG ' HG23 ' B' ' 82' ' ' THR . 46.7 ttm -59.9 -43.33 94.89 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 120.998 0.428 . . . . 0.0 112.124 -178.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.96 -31.15 66.59 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.262 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.443 HG21 ' HB2' ' B' ' 7' ' ' ALA . 38.6 m -56.15 -37.43 69.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.356 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.4 mt -63.0 -41.16 99.51 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.053 -1.059 . . . . 0.0 110.559 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.0 mt -64.99 -45.09 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.031 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -60.55 -41.13 93.9 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.896 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.416 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 27.4 m -73.73 -38.68 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.469 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 19' ' ' SER . 71.1 t80 -62.8 -49.76 73.66 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.491 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -64.18 -47.94 77.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.434 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.05 -52.45 42.04 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.056 -0.658 . . . . 0.0 112.061 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.467 ' CE1' ' OE2' ' A' ' 40' ' ' GLU . 77.5 m80 -62.82 -48.33 79.57 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.519 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 15' ' ' PHE . 20.1 t -61.71 -40.15 94.02 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.959 0.409 . . . . 0.0 110.715 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.549 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . . . -63.04 -37.36 94.82 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.849 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -58.76 -41.31 86.28 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.522 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -126.72 150.3 49.12 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.934 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.04 -163.65 53.9 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.69 137.63 49.93 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' NZ ' ' O ' ' A' ' 20' ' ' GLY . 65.4 mmtt -61.16 -40.72 94.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.211 0.529 . . . . 0.0 110.078 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -69.42 -33.59 73.2 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -116.06 149.59 38.67 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -176.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -104.32 131.27 51.84 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.0 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -98.79 150.91 21.36 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.574 ' HZ2' ' CG ' ' A' ' 55' ' ' ASP . 59.1 tttt -55.57 -39.16 70.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 118.521 -1.272 . . . . 0.0 110.945 -177.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -56.58 -40.9 76.02 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 118.452 -1.299 . . . . 0.0 108.516 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.522 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.2 mt-10 -66.46 -36.67 83.33 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.337 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.682 HD22 HG21 ' A' ' 69' ' ' VAL . 16.6 tp -66.85 -50.73 61.63 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -60.46 -43.82 96.52 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.576 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.65 -37.74 85.44 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.471 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.6 tt -64.89 -43.93 91.28 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.061 -0.656 . . . . 0.0 110.448 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.613 HD12 HD22 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -68.14 -40.72 82.37 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.155 179.361 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' NE2' ' CB ' ' A' ' 47' ' ' ALA . 62.7 tt0 -63.32 -45.68 90.2 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.426 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.2 m -70.87 -43.35 68.61 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 77.2 mm-40 -74.62 -32.33 62.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.892 HD12 ' OE2' ' B' ' 5' ' ' GLU . 13.6 tp -97.98 140.31 32.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.11 0.481 . . . . 0.0 111.171 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.584 ' O ' ' N ' ' A' ' 44' ' ' PHE . 87.6 p -54.29 -24.49 19.23 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.591 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -46.42 -9.7 0.03 OUTLIER Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.584 ' N ' ' O ' ' A' ' 42' ' ' SER . 46.4 t80 -47.66 -42.19 24.04 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.97 -35.21 79.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.205 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.672 ' C ' ' H ' ' A' ' 48' ' ' GLN . 28.4 p30 -90.12 13.17 15.73 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.287 -178.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.57 ' HA ' HG11 ' A' ' 51' ' ' VAL . . . -56.47 20.26 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.672 ' H ' ' C ' ' A' ' 46' ' ' ASP . 93.2 mt-30 -60.55 162.09 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -48.85 -18.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -55.37 -34.79 64.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.033 0.444 . . . . 0.0 110.164 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.609 ' O ' HG12 ' A' ' 54' ' ' VAL . 17.9 m -58.39 -10.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.335 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.7 p30 -58.63 -30.34 67.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.887 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.654 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -57.66 -27.19 62.63 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.673 0.749 . . . . 0.0 109.292 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.632 ' O ' HG22 ' A' ' 57' ' ' VAL . 6.1 p -51.86 -36.79 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.574 ' CG ' ' HZ2' ' A' ' 30' ' ' LYS . 54.7 t0 -60.72 -42.06 96.52 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.59 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.43 -38.04 89.62 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.499 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 54' ' ' VAL . 2.2 m -68.61 -29.49 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.946 -178.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.0 mmm -55.51 -39.39 70.45 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.818 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -62.02 -43.28 99.18 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.007 -0.677 . . . . 0.0 111.099 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.33 -42.35 88.31 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.482 ' HG ' ' N ' ' A' ' 62' ' ' ASP . 0.6 OUTLIER -78.11 -36.95 47.36 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.307 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.49 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 63.6 t0 -87.67 110.47 20.44 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.308 -179.235 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.04 -33.49 75.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.366 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -56.77 -38.9 73.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.857 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.21 4.86 64.74 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 108.209 -1.957 . . . . 0.0 108.209 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.658 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.9 p30 -63.31 -33.97 76.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.379 -0.91 . . . . 0.0 112.899 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.658 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.65 0.36 64.61 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 109.724 -1.351 . . . . 0.0 109.724 -178.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -109.32 152.46 25.25 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.682 HG21 HD22 ' A' ' 33' ' ' LEU . 44.1 t -108.66 132.6 56.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.57 0.7 . . . . 0.0 111.576 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -101.97 159.32 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -52.12 -42.32 63.2 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.997 -1.081 . . . . 0.0 109.721 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.47 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.4 tt0 -59.73 -41.38 90.78 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.689 178.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.484 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 96.6 mt-10 -68.37 -39.53 81.73 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.523 0.678 . . . . 0.0 111.107 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -63.75 -45.19 90.96 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.096 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 72' ' ' GLN . 2.5 p -60.34 -38.85 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.691 -178.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.6 m -75.57 -33.4 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 120.142 -0.623 . . . . 0.0 109.692 178.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.497 HD23 ' C ' ' A' ' 77' ' ' LEU . 9.7 tt -59.65 -42.44 92.8 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 75' ' ' VAL . 22.6 m -72.27 -31.07 37.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 C-N-CA 120.276 -0.569 . . . . 0.0 111.265 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.25 80.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.644 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.71 90.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.594 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.613 HD22 HD12 ' A' ' 37' ' ' LEU . 6.2 mp -65.52 -35.33 80.54 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.043 0.449 . . . . 0.0 110.171 178.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.671 HG23 ' CG ' ' B' ' 8' ' ' MET . 87.4 m -52.91 -36.78 60.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.559 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.2 t -58.47 -35.95 56.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.229 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.3 79.8 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.266 -0.573 . . . . 0.0 110.428 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.0 tpt -57.22 -39.5 75.59 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -59.79 -41.5 91.29 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.64 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -61.38 -44.05 97.82 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.795 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.6 -36.42 83.67 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.708 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -53.48 -39.22 64.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.947 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.54 -34.95 62.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.566 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.58 -32.71 72.82 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.579 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.22 137.12 42.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.593 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -107.39 143.12 36.15 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.119 0.485 . . . . 0.0 110.556 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.05 -36.4 77.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.427 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.52 -42.41 96.38 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.846 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.892 ' OE2' HD12 ' A' ' 41' ' ' LEU . 77.0 mm-40 -66.93 -39.41 87.34 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.597 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.4 m -61.46 -43.12 99.43 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.478 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.443 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -68.49 -38.47 81.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.657 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.671 ' CG ' HG23 ' A' ' 82' ' ' THR . 46.6 ttm -59.85 -43.31 94.72 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.315 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.84 -31.24 66.46 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.324 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.424 HG21 ' HB2' ' A' ' 7' ' ' ALA . 38.8 m -56.05 -37.61 69.49 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.289 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.83 -41.33 99.28 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 119.046 -1.062 . . . . 0.0 110.522 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.91 -44.99 96.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.103 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -60.5 -41.25 93.95 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.881 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.434 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 27.1 m -73.76 -38.65 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.445 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' B' ' 19' ' ' SER . 71.1 t80 -62.83 -49.73 73.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.511 178.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -64.07 -47.94 78.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.461 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.08 -52.5 41.24 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 120.099 -0.64 . . . . 0.0 112.04 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.47 ' CE1' ' OE2' ' B' ' 40' ' ' GLU . 77.5 m80 -62.8 -48.29 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.571 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' B' ' 15' ' ' PHE . 20.0 t -61.73 -40.13 93.99 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.02 0.438 . . . . 0.0 110.745 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.436 ' O ' ' NZ ' ' B' ' 25' ' ' LYS . . . -63.15 -37.25 94.61 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.824 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -58.75 -41.32 86.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.524 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -126.72 150.36 49.1 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.916 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.98 -163.68 53.84 Favored Glycine 0 C--N 1.333 0.4 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.73 137.65 49.87 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.436 ' NZ ' ' O ' ' B' ' 20' ' ' GLY . 65.3 mmtt -61.23 -40.66 94.86 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.078 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -69.51 -33.49 72.91 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -116.04 149.58 38.67 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -104.32 131.28 51.83 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.975 177.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.5 t -98.81 150.93 21.36 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.572 ' HZ2' ' CG ' ' B' ' 55' ' ' ASP . 59.1 tttt -55.54 -39.23 70.31 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 118.529 -1.269 . . . . 0.0 110.923 -177.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -56.56 -40.99 76.11 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 118.419 -1.312 . . . . 0.0 108.55 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.524 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.2 mt-10 -66.29 -36.75 83.77 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.366 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.662 HD22 HG21 ' B' ' 69' ' ' VAL . 16.8 tp -66.83 -50.73 61.64 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -60.46 -43.85 96.47 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.598 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.56 -37.82 85.78 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.474 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.79 -43.94 91.57 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.524 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.608 HD12 HD22 ' B' ' 81' ' ' LEU . 0.5 OUTLIER -68.18 -40.73 82.16 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.162 179.385 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.439 ' NE2' ' CB ' ' B' ' 47' ' ' ALA . 62.5 tt0 -63.23 -45.7 90.41 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.484 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 46.9 m -70.8 -43.37 68.8 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.47 ' OE2' ' CE1' ' B' ' 18' ' ' HIS . 77.3 mm-40 -74.61 -32.4 62.31 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.881 HD12 ' OE2' ' A' ' 5' ' ' GLU . 13.7 tp -97.88 140.4 32.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.095 0.474 . . . . 0.0 111.218 -177.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.588 ' O ' ' N ' ' B' ' 44' ' ' PHE . 87.8 p -54.38 -24.54 20.06 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.565 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -46.36 -9.7 0.03 OUTLIER Glycine 0 CA--C 1.522 0.516 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 178.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.588 ' N ' ' O ' ' B' ' 42' ' ' SER . 46.4 t80 -47.75 -42.14 24.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.91 -35.24 79.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.207 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.661 ' C ' ' H ' ' B' ' 48' ' ' GLN . 28.6 p30 -90.17 13.15 15.86 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.27 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.557 ' HA ' HG11 ' B' ' 51' ' ' VAL . . . -56.49 20.26 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.661 ' H ' ' C ' ' B' ' 46' ' ' ASP . 93.1 mt-30 -60.52 162.01 6.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.196 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -48.75 -18.82 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.22 -34.95 64.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.09 0.471 . . . . 0.0 110.229 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.602 ' O ' HG12 ' B' ' 54' ' ' VAL . 18.0 m -58.31 -10.95 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.317 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.657 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.7 p30 -58.6 -30.3 67.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.839 179.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.657 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.7 -27.28 62.79 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-O 121.586 0.707 . . . . 0.0 109.239 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.635 ' O ' HG22 ' B' ' 57' ' ' VAL . 6.1 p -51.74 -36.75 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.572 ' CG ' ' HZ2' ' B' ' 30' ' ' LYS . 54.8 t0 -60.72 -42.23 96.86 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.497 178.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.24 -38.12 89.92 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.508 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.635 HG22 ' O ' ' B' ' 54' ' ' VAL . 2.2 m -68.71 -29.45 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.927 -177.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 93.1 mmm -55.49 -39.38 70.37 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.827 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -62.02 -43.37 98.98 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.971 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.35 -42.34 88.22 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' B' ' 62' ' ' ASP . 0.6 OUTLIER -78.07 -37.07 47.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.316 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.491 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 63.6 t0 -87.6 110.51 20.43 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.303 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.17 -33.38 75.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.348 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -56.78 -38.95 73.23 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.84 -178.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.26 4.84 64.94 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.9 p30 -63.45 -33.8 76.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.398 -0.901 . . . . 0.0 112.925 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.654 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.63 0.33 64.68 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -178.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -109.35 152.42 25.32 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.662 HG21 HD22 ' B' ' 33' ' ' LEU . 43.9 t -108.58 132.61 56.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.438 0.637 . . . . 0.0 111.555 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -101.97 159.26 15.52 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -52.13 -42.27 63.2 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 118.988 -1.085 . . . . 0.0 109.712 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.465 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.4 tt0 -59.64 -41.45 90.5 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.748 178.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.48 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 96.7 mt-10 -68.59 -39.36 80.97 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.486 0.66 . . . . 0.0 111.016 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -63.81 -45.15 90.96 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.465 HG12 ' O ' ' B' ' 72' ' ' GLN . 2.4 p -60.35 -38.83 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.679 -178.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.455 HG22 ' O ' ' B' ' 73' ' ' GLU . 32.6 m -75.62 -33.37 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.642 178.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.488 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.7 tt -59.73 -42.4 93.05 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.435 HG22 ' O ' ' B' ' 75' ' ' VAL . 22.7 m -72.25 -31.08 37.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.293 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.29 80.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.611 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.66 90.84 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.625 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.608 HD22 HD12 ' B' ' 37' ' ' LEU . 6.2 mp -65.51 -35.33 80.56 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.075 0.464 . . . . 0.0 110.2 178.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.665 HG23 ' CG ' ' A' ' 8' ' ' MET . 86.6 m -52.93 -36.74 60.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.644 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.1 t -58.49 -35.98 57.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.151 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.33 79.95 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.437 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.16 -39.49 75.36 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -59.68 -41.62 91.09 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.694 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -61.32 -44.04 97.87 Favored 'General case' 0 N--CA 1.458 -0.051 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.785 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.68 -36.3 83.24 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.762 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -53.56 -39.17 64.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.984 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.47 -35.02 62.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.595 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.66 -32.57 72.74 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.577 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.3 137.05 42.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.593 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.557 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.467 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 54.6 p -69.75 162.26 28.14 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.954 0.407 . . . . 0.0 110.577 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.58 -36.23 78.01 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.941 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.65 -42.22 96.55 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.916 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.38 -39.17 88.92 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.95 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.4 m -62.6 -42.47 99.59 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.291 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.74 -37.71 85.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.301 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.691 ' CG ' HG23 ' B' ' 82' ' ' THR . 47.3 ttm -59.44 -42.77 92.68 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.17 0.51 . . . . 0.0 111.532 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.89 -31.16 66.47 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.24 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.0 m -55.94 -37.27 68.74 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.314 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.57 -41.47 98.95 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.401 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.0 mt -65.32 -43.6 94.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.806 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -59.48 -42.95 93.26 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.786 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -73.79 -38.28 50.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.848 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.483 ' CE1' HD22 ' A' ' 28' ' ' LEU . 66.5 t80 -62.42 -49.11 76.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.363 0.602 . . . . 0.0 110.127 179.048 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.633 ' NE2' ' CE ' ' A' ' 25' ' ' LYS . 21.4 t-80 -64.13 -49.09 73.56 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.496 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.69 -48.67 71.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.248 -0.581 . . . . 0.0 112.047 -178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -64.13 -46.73 82.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.931 -0.708 . . . . 0.0 111.074 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -60.79 -40.94 94.47 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.352 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.44 -40.43 98.82 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.117 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -60.02 -40.05 87.98 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.7 mt-10 -121.54 153.08 38.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.061 0.458 . . . . 0.0 111.912 -178.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.2 -164.5 1.46 Allowed Glycine 0 C--N 1.331 0.297 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -71.83 135.82 46.79 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.633 ' CE ' ' NE2' ' A' ' 16' ' ' HIS . 42.3 tttm -60.28 -40.59 90.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.215 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -65.98 -32.58 74.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.266 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -116.02 146.15 42.4 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.638 0.732 . . . . 0.0 112.828 -178.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.647 HD12 ' OE1' ' A' ' 32' ' ' GLU . 16.9 tp -107.3 131.15 54.53 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.458 178.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.1 m -104.57 150.62 24.47 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -57.02 -36.54 70.57 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 118.72 -1.192 . . . . 0.0 109.895 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -55.53 -40.67 72.13 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 118.947 -1.101 . . . . 0.0 108.23 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.647 ' OE1' HD12 ' A' ' 28' ' ' LEU . 96.7 mt-10 -65.92 -37.5 86.25 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.5 tp -62.69 -45.69 91.59 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.988 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -60.23 -42.4 95.16 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.508 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.65 -42.35 95.5 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.86 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.6 tp -66.72 -44.19 82.28 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.065 -0.654 . . . . 0.0 112.045 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -68.59 -42.46 78.19 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.416 -179.613 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -64.45 -40.88 96.57 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.187 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.24 -43.24 74.42 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' OE1' ' CB ' ' B' ' 2' ' ' SER . 76.9 mm-40 -75.52 -33.8 60.76 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -95.52 143.57 26.72 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.667 0.746 . . . . 0.0 112.821 -178.757 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 44' ' ' PHE . 86.6 p -58.43 -24.42 60.14 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 177.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.568 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -45.6 -11.21 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.958 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' N ' ' O ' ' A' ' 42' ' ' SER . 56.7 t80 -46.4 -38.88 9.57 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.346 -0.941 . . . . 0.0 109.078 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.515 ' N ' HD22 ' A' ' 45' ' ' LEU . 2.9 mm? -59.83 -31.93 70.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.516 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.568 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 27.3 p30 -82.27 15.77 2.29 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.064 0.459 . . . . 0.0 110.032 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -53.92 -21.61 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.54 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.515 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.6 mt-30 -51.69 -157.84 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.236 0.541 . . . . 0.0 111.686 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -55.5 -23.6 26.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.541 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -51.92 -34.45 41.64 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.661 ' O ' HG12 ' A' ' 54' ' ' VAL . 42.6 t -51.82 -38.4 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.237 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -53.39 -34.52 58.0 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.914 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.96 -28.38 62.2 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.058 0.456 . . . . 0.0 110.16 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.8 p -54.0 -35.97 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -63.22 -42.1 99.22 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.718 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -63.67 -42.9 97.99 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.923 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.7 m -75.49 -30.48 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.331 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.3 ttt -55.95 -44.02 78.04 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-O 121.504 0.669 . . . . 0.0 110.136 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 62' ' ' ASP . 49.8 mtmt -61.85 -38.51 88.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.524 179.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.3 -42.46 99.38 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.884 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.89 -39.91 83.6 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.026 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.608 ' OD2' ' N ' ' A' ' 65' ' ' GLY . 21.3 t70 -94.52 121.36 36.0 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -178.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.77 -31.73 72.88 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.697 176.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.584 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -86.97 3.13 47.06 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.189 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.608 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 93.24 -3.56 72.86 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.545 ' OD1' ' OE1' ' A' ' 73' ' ' GLU . 1.8 t0 55.85 41.22 30.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 178.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.65 -37.32 60.92 Favored Glycine 0 C--N 1.312 -0.756 0 C-N-CA 117.333 -2.365 . . . . 0.0 107.928 177.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -121.89 144.74 48.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.7 t -110.58 133.27 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 120.04 -0.664 . . . . 0.0 111.651 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -103.19 157.36 17.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.274 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -53.71 -41.18 66.7 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.379 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.475 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.6 tt0 -57.08 -40.54 77.13 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.041 179.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.545 ' OE1' ' OD1' ' A' ' 66' ' ' ASP . 97.4 mt-10 -67.45 -38.36 84.35 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.235 178.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -63.17 -45.23 92.79 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.517 HG13 ' HB1' ' B' ' 79' ' ' ALA . 3.5 p -60.41 -39.23 80.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.064 -178.196 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 73' ' ' GLU . 28.4 m -76.27 -33.65 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.087 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 77' ' ' LEU . 9.3 tt -61.59 -41.04 96.85 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.977 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 75' ' ' VAL . 22.1 m -72.0 -31.96 42.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-O 121.379 0.609 . . . . 0.0 110.657 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.522 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -61.17 -35.39 76.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.913 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.67 -44.3 94.18 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.385 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.546 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.6 mp -65.63 -36.57 84.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.082 0.468 . . . . 0.0 110.055 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.678 HG23 ' CG ' ' B' ' 8' ' ' MET . 60.5 m -53.32 -37.11 61.98 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.555 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.8 t -58.81 -35.46 56.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.294 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.51 77.84 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.498 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpt -58.64 -42.09 87.52 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -59.81 -40.6 88.96 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.129 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -59.69 -41.1 89.94 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.148 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.18 -46.12 90.35 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -57.39 -34.47 68.9 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.492 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.455 ' O ' ' OXT' ' A' ' 93' ' ' SER . 71.6 t-105 -54.73 -33.63 61.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.88 -33.45 66.89 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.541 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -55.5 -34.51 64.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.558 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.455 ' OXT' ' O ' ' A' ' 90' ' ' TRP . 28.9 p . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.576 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.469 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 54.6 p -69.79 162.23 28.26 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.946 0.403 . . . . 0.0 110.547 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.61 -36.2 78.01 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.97 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 38.6 tp -60.65 -42.21 96.54 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.914 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.35 -39.18 89.01 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 120.163 -0.615 . . . . 0.0 109.94 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.4 m -62.63 -42.5 99.63 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.301 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.71 -37.76 85.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.283 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.678 ' CG ' HG23 ' A' ' 82' ' ' THR . 47.2 ttm -59.34 -42.76 92.23 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.178 0.513 . . . . 0.0 111.567 -178.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.96 -31.19 66.62 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.189 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.4 m -55.84 -37.32 68.56 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.324 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.5 mt -62.6 -41.38 98.94 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.452 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.32 -43.58 94.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.862 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -59.56 -42.97 93.62 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.773 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -73.73 -38.3 50.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.833 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.478 ' CE1' HD22 ' B' ' 28' ' ' LEU . 66.3 t80 -62.37 -49.11 76.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.325 0.583 . . . . 0.0 110.123 179.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.633 ' NE2' ' CE ' ' B' ' 25' ' ' LYS . 21.5 t-80 -64.07 -49.17 73.35 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.484 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -48.68 71.25 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.262 -0.575 . . . . 0.0 112.006 -178.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -64.17 -46.72 82.75 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.055 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.9 t -60.82 -40.9 94.48 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.381 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.44 -40.44 98.82 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 121.228 -0.511 . . . . 0.0 112.091 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -59.97 -40.16 88.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.444 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.7 mt-10 -121.4 153.09 38.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 111.977 -178.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.26 -164.58 1.48 Allowed Glycine 0 CA--C 1.519 0.336 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.75 135.8 46.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.633 ' CE ' ' NE2' ' B' ' 16' ' ' HIS . 42.3 tttm -60.17 -40.79 91.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -65.88 -32.55 74.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.263 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -115.99 146.14 42.38 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.62 0.724 . . . . 0.0 112.81 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.659 HD12 ' OE1' ' B' ' 32' ' ' GLU . 17.0 tp -107.32 131.14 54.56 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 114.946 -1.025 . . . . 0.0 108.479 178.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m -104.55 150.68 24.42 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -57.08 -36.49 70.64 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 118.697 -1.201 . . . . 0.0 109.9 -178.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -55.55 -40.71 72.26 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 118.904 -1.119 . . . . 0.0 108.16 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.659 ' OE1' HD12 ' B' ' 28' ' ' LEU . 96.7 mt-10 -65.85 -37.5 86.35 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 23.5 tp -62.57 -45.72 91.64 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.092 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -60.29 -42.38 95.36 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.513 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.65 -42.36 95.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.888 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 38.5 tp -66.72 -44.24 82.13 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.016 -0.674 . . . . 0.0 112.063 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.6 OUTLIER -68.48 -42.59 78.45 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.39 -179.592 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -64.26 -40.92 96.98 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.096 -1.042 . . . . 0.0 111.298 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.6 m -69.23 -43.3 74.31 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' A' ' 2' ' ' SER . 76.9 mm-40 -75.38 -33.88 61.05 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.612 ' CD2' ' N ' ' B' ' 41' ' ' LEU . 0.4 OUTLIER -95.37 143.66 26.55 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.673 0.749 . . . . 0.0 112.823 -178.807 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.569 ' O ' ' N ' ' B' ' 44' ' ' PHE . 86.8 p -58.56 -24.41 60.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.575 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -45.65 -11.12 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 114.25 -1.341 . . . . 0.0 109.912 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.569 ' N ' ' O ' ' B' ' 42' ' ' SER . 56.9 t80 -46.54 -38.86 10.0 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.95 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.498 HD22 ' N ' ' B' ' 45' ' ' LEU . 2.8 mm? -59.79 -32.01 70.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.511 178.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.575 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 27.4 p30 -82.27 15.86 2.26 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.079 0.466 . . . . 0.0 110.006 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -53.98 -21.48 8.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.587 -178.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.515 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.7 mt-30 -51.77 -157.87 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.206 0.527 . . . . 0.0 111.702 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -55.43 -23.59 25.98 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.523 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -52.02 -34.39 42.79 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.667 ' O ' HG12 ' B' ' 54' ' ' VAL . 42.9 t -51.83 -38.38 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.295 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.46 -34.47 58.02 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.946 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -28.33 62.1 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.175 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.667 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.8 p -54.05 -35.91 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -63.13 -42.13 99.44 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.782 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -63.68 -42.87 97.98 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.947 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.7 m -75.45 -30.45 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.409 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.3 ttt -55.92 -44.06 77.95 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.625 0.726 . . . . 0.0 110.151 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' B' ' 62' ' ' ASP . 49.7 mtmt -61.93 -38.56 88.89 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.438 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.17 -42.56 99.39 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.903 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.8 -39.93 83.97 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.988 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.602 ' OD2' ' N ' ' B' ' 65' ' ' GLY . 21.2 t70 -94.59 121.35 36.06 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.71 -31.79 72.98 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.688 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.582 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -86.94 3.02 47.41 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -177.103 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.602 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 93.32 -3.74 72.83 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.555 ' H ' ' ND2' ' B' ' 64' ' ' ASN . 1.8 t0 55.99 41.11 30.17 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.62 -37.35 60.85 Favored Glycine 0 C--N 1.311 -0.812 0 C-N-CA 117.355 -2.355 . . . . 0.0 107.878 177.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -121.86 144.8 48.63 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.7 t -110.62 133.37 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.612 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -103.24 157.46 17.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.211 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -53.81 -41.22 67.1 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.33 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.465 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.6 tt0 -56.9 -40.7 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.117 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.527 ' OE1' ' OD1' ' B' ' 66' ' ' ASP . 97.4 mt-10 -67.39 -38.39 84.61 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.15 178.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -63.26 -45.11 93.03 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.522 HG13 ' HB1' ' A' ' 79' ' ' ALA . 3.4 p -60.59 -39.14 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 119.88 -0.728 . . . . 0.0 111.04 -178.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 73' ' ' GLU . 28.5 m -76.23 -33.72 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.086 178.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.414 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.3 tt -61.56 -41.03 96.79 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.01 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.414 HG22 ' O ' ' B' ' 75' ' ' VAL . 22.1 m -72.03 -31.91 41.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.408 0.623 . . . . 0.0 110.701 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.517 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -61.25 -35.26 76.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.984 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.27 93.92 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.327 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.533 ' H ' HD12 ' B' ' 81' ' ' LEU . 6.6 mp -65.7 -36.52 83.85 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.071 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.691 HG23 ' CG ' ' A' ' 8' ' ' MET . 60.3 m -53.23 -37.16 61.81 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.67 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.0 t -58.8 -35.53 56.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.293 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.43 77.57 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.561 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpt -58.65 -42.14 87.67 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -59.79 -40.56 88.73 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.166 177.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -59.69 -41.05 89.86 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.179 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.23 -46.03 90.69 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -57.43 -34.52 69.03 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.53 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.456 ' O ' ' OXT' ' B' ' 93' ' ' SER . 71.6 t-105 -54.73 -33.74 61.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.74 -33.43 66.55 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -55.57 -34.5 64.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.456 ' OXT' ' O ' ' B' ' 90' ' ' TRP . 29.5 p . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.647 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p . . . . . 0 C--O 1.236 0.383 0 CA-C-O 121.116 0.484 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.98 -35.69 75.56 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.408 HD23 ' C ' ' A' ' 4' ' ' LEU . 9.5 tt -61.27 -41.23 96.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.568 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.87 -39.26 90.55 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.038 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.6 m -61.59 -42.92 99.55 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.215 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -67.14 -36.42 81.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.475 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.682 ' CG ' HG23 ' B' ' 82' ' ' THR . 46.1 ttm -59.84 -43.39 94.63 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.876 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.69 -32.4 67.31 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.314 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.8 m -57.36 -36.37 71.12 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.69 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 mt -61.85 -42.14 98.69 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.231 -0.988 . . . . 0.0 111.394 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.9 mt -65.96 -45.94 89.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.124 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -60.31 -43.25 96.52 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.627 -0.429 . . . . 0.0 112.114 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 15' ' ' PHE . 18.0 m -72.57 -40.3 62.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.575 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.418 ' N ' HG23 ' A' ' 14' ' ' VAL . 67.1 t80 -61.76 -47.06 86.88 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.945 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.35 -46.8 84.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.324 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.89 -52.74 47.51 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.114 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.517 ' CG ' HD13 ' A' ' 36' ' ' LEU . 93.7 m-70 -62.71 -45.65 91.75 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.659 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 t -60.55 -40.51 91.83 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.041 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.45 -37.16 94.09 Favored Glycine 0 CA--C 1.524 0.628 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.554 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.81 -41.86 87.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.507 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -128.85 145.25 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.551 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.16 -164.32 54.91 Favored Glycine 0 C--N 1.331 0.288 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.86 137.57 47.61 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -61.59 -38.98 89.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 110.91 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -66.5 -34.69 78.49 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.53 147.72 48.21 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 tp -106.51 124.86 50.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.768 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -83.82 159.72 21.34 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.174 -0.61 . . . . 0.0 109.615 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -58.37 -39.17 78.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 119.634 -0.827 . . . . 0.0 110.138 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -58.03 -42.42 85.27 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.835 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.507 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 97.9 mt-10 -66.51 -38.79 87.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.917 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.409 HD21 HD13 ' A' ' 77' ' ' LEU . 32.8 tp -64.78 -43.89 91.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.823 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -60.29 -46.0 91.37 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.004 0.43 . . . . 0.0 110.93 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.05 -39.91 93.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.726 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.517 HD13 ' CG ' ' A' ' 18' ' ' HIS . 48.4 tp -61.34 -51.86 67.05 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.356 -0.538 . . . . 0.0 112.285 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.9 -37.64 72.97 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.082 -0.647 . . . . 0.0 112.512 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.455 ' NE2' ' HB1' ' A' ' 47' ' ' ALA . 63.2 tt0 -61.73 -46.24 90.5 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 118.923 -1.111 . . . . 0.0 111.122 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.2 m -75.76 -48.45 21.72 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -76.68 -33.19 58.26 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.972 HD23 ' H ' ' A' ' 43' ' ' GLY . 5.1 tt -96.98 143.31 27.96 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.332 0.587 . . . . 0.0 110.604 -177.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.584 ' O ' ' N ' ' A' ' 44' ' ' PHE . 25.6 t -49.2 -24.81 1.9 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.721 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.972 ' H ' HD23 ' A' ' 41' ' ' LEU . . . -44.41 -11.59 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.584 ' N ' ' O ' ' A' ' 42' ' ' SER . 65.8 t80 -49.29 -40.83 36.21 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.94 -35.76 71.57 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' GLY . 88.8 m-20 -80.42 9.4 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.359 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.517 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -58.09 -24.92 60.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.519 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.64 ' O ' HG12 ' A' ' 51' ' ' VAL . 93.8 mt-30 -53.22 -157.4 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -57.04 -27.63 61.83 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.508 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.77 -34.6 62.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.125 0.488 . . . . 0.0 109.743 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 48' ' ' GLN . 5.3 p -52.93 -29.73 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.933 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.31 -35.37 62.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.68 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.63 -27.83 59.23 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.078 0.466 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.9 p -52.61 -37.74 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.17 -41.45 97.12 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 119.624 -0.83 . . . . 0.0 110.159 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.95 -40.3 97.27 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.5 m -71.61 -31.67 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 119.779 -0.768 . . . . 0.0 112.023 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.4 mmm -58.35 -37.32 74.94 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.786 -0.365 . . . . 0.0 111.693 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.27 -44.42 95.35 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.873 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.63 -40.5 84.63 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.882 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.45 -36.62 81.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.765 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.529 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 42.7 t0 -85.93 105.42 16.39 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.529 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.16 -37.43 83.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.52 0.676 . . . . 0.0 109.376 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -58.84 -37.49 76.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.191 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.62 6.89 88.86 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 107.994 -2.042 . . . . 0.0 107.994 -177.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.2 p30 -63.13 -33.78 76.2 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 114.218 -0.991 . . . . 0.0 112.942 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.46 -3.98 66.39 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.496 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 95.7 mt-10 -111.23 154.09 24.92 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.8 m -124.37 149.69 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-O 122.18 0.99 . . . . 0.0 112.862 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -106.86 166.49 10.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 113.55 -1.659 . . . . 0.0 108.351 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -51.34 -41.49 60.63 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.784 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.481 ' O ' HG12 ' A' ' 75' ' ' VAL . 51.3 tt0 -59.63 -42.7 93.31 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.574 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.457 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.7 mt-10 -68.68 -38.15 80.12 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.465 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -62.21 -44.89 95.56 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.394 -0.821 . . . . 0.0 113.16 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.6 p -60.5 -39.26 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 119.846 -0.741 . . . . 0.0 111.126 -178.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 73' ' ' GLU . 30.4 m -75.73 -33.47 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.838 178.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.409 HD13 HD21 ' A' ' 33' ' ' LEU . 9.5 tt -60.89 -42.45 98.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.7 m -73.52 -32.34 35.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.833 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.33 87.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.066 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.19 95.43 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.912 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.35 -36.04 82.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.432 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.683 HG23 ' CG ' ' B' ' 8' ' ' MET . 68.7 m -52.84 -38.35 61.33 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.818 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 80.1 t -60.24 -35.51 62.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.25 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.89 -38.92 90.13 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.887 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.403 ' HE1' HD12 ' B' ' 12' ' ' ILE . 10.2 ttp -59.74 -38.91 83.05 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 119.627 -0.829 . . . . 0.0 108.825 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -58.33 -41.87 85.55 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.258 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -60.81 -41.63 96.07 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.487 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.65 -41.03 94.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.413 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -52.96 -39.06 62.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.015 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.32 -35.62 62.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.473 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.98 -33.07 73.64 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.547 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.569 ' O ' ' CB ' ' A' ' 93' ' ' SER . 26.9 t30 -102.0 128.38 48.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.431 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.711 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.592 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -69.72 163.08 26.48 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.128 0.489 . . . . 0.0 110.705 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.91 -35.7 75.44 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.416 ' C ' HD23 ' B' ' 4' ' ' LEU . 9.6 tt -61.36 -41.13 96.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.197 -0.601 . . . . 0.0 109.603 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.87 -39.27 90.54 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.071 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.4 m -61.6 -42.94 99.59 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.215 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -67.09 -36.43 81.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.509 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.683 ' CG ' HG23 ' A' ' 82' ' ' THR . 46.1 ttm -59.8 -43.41 94.48 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.852 -178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.71 -32.41 67.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.325 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.8 m -57.32 -36.34 70.99 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.678 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.0 mt -61.97 -42.03 98.67 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 119.241 -0.983 . . . . 0.0 111.434 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.403 HD12 ' HE1' ' A' ' 85' ' ' MET . 74.0 mt -66.01 -45.94 89.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.123 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -60.28 -43.27 96.37 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.553 -0.459 . . . . 0.0 112.057 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.422 HG23 ' N ' ' B' ' 15' ' ' PHE . 18.0 m -72.62 -40.26 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.563 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.422 ' N ' HG23 ' B' ' 14' ' ' VAL . 67.1 t80 -61.76 -47.15 86.49 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.973 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.29 -46.72 85.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.348 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.94 -52.65 47.85 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.166 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.519 ' CG ' HD13 ' B' ' 36' ' ' LEU . 93.6 m-70 -62.76 -45.73 91.35 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.62 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.7 t -60.43 -40.63 91.78 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.379 -0.529 . . . . 0.0 110.022 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.38 -37.22 94.19 Favored Glycine 0 CA--C 1.523 0.588 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.561 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.81 -41.78 87.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.499 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -128.85 145.26 51.25 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.573 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.19 -164.42 54.91 Favored Glycine 0 CA--C 1.518 0.251 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -71.83 137.63 47.69 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -61.61 -38.89 89.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.103 0.478 . . . . 0.0 110.905 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -66.62 -34.74 78.55 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -124.48 147.83 48.09 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 tp -106.58 124.77 50.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.55 -1.204 . . . . 0.0 108.851 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.7 p -83.68 159.73 21.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.643 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -58.43 -39.06 78.76 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.559 -0.857 . . . . 0.0 110.171 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -58.11 -42.44 85.75 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.951 -0.699 . . . . 0.0 109.758 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.499 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 97.9 mt-10 -66.47 -38.83 88.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.863 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.408 HD21 HD13 ' B' ' 77' ' ' LEU . 32.8 tp -64.81 -43.83 91.86 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.855 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -60.34 -45.99 91.51 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-O 120.994 0.426 . . . . 0.0 110.9 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.17 -39.77 93.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.754 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.519 HD13 ' CG ' ' B' ' 18' ' ' HIS . 48.3 tp -61.31 -51.87 67.06 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.368 -0.533 . . . . 0.0 112.277 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 42.9 mt -70.97 -37.67 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.02 -0.672 . . . . 0.0 112.392 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.459 ' NE2' ' HB1' ' B' ' 47' ' ' ALA . 63.3 tt0 -61.67 -46.3 90.33 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 118.869 -1.132 . . . . 0.0 111.094 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.4 m -75.69 -48.5 21.72 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -76.63 -33.14 58.37 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.998 HD23 ' H ' ' B' ' 43' ' ' GLY . 5.1 tt -97.12 143.38 27.99 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.398 0.618 . . . . 0.0 110.549 -177.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.599 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.1 t -49.1 -24.84 1.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.717 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.998 ' H ' HD23 ' B' ' 41' ' ' LEU . . . -44.38 -11.63 0.02 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.599 ' N ' ' O ' ' B' ' 42' ' ' SER . 65.8 t80 -49.33 -40.85 36.72 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 28.8 tp -57.94 -35.83 71.67 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' B' ' 43' ' ' GLY . 88.7 m-20 -80.23 9.26 5.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.509 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -58.09 -24.88 60.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.545 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.653 ' O ' HG12 ' B' ' 51' ' ' VAL . 93.8 mt-30 -53.18 -157.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -57.0 -27.63 61.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.441 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -54.82 -34.57 62.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.119 0.485 . . . . 0.0 109.734 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.653 HG12 ' O ' ' B' ' 48' ' ' GLN . 5.3 p -52.89 -29.7 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.934 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.33 -35.42 62.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.783 0.325 . . . . 0.0 110.654 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.66 -27.84 59.48 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.044 0.449 . . . . 0.0 109.95 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.629 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.9 p -52.64 -37.71 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -64.23 -41.38 97.03 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.113 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.97 -40.32 97.35 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.4 HG22 ' O ' ' B' ' 54' ' ' VAL . 10.4 m -71.57 -31.66 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 119.778 -0.769 . . . . 0.0 112.028 -178.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.4 mmm -58.36 -37.3 74.92 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.793 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.37 -44.3 95.73 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.842 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.67 -40.57 84.44 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.83 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 76.9 mt -67.42 -36.6 81.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.856 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.535 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 42.7 t0 -86.0 105.45 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.575 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.16 -37.32 83.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.468 0.651 . . . . 0.0 109.441 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -58.84 -37.54 76.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.072 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.49 7.03 88.78 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 108.015 -2.034 . . . . 0.0 108.015 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.2 p30 -63.1 -33.88 76.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 114.174 -1.013 . . . . 0.0 112.979 -179.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.6 -4.02 66.08 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.5 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 95.7 mt-10 -111.24 154.17 24.82 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 32.5 m -124.46 149.77 28.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 122.075 0.941 . . . . 0.0 112.786 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -106.98 166.56 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.276 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -51.24 -41.61 60.46 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.436 -0.906 . . . . 0.0 109.769 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.479 ' O ' HG12 ' B' ' 75' ' ' VAL . 51.2 tt0 -59.66 -42.71 93.45 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.482 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.457 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.7 mt-10 -68.72 -38.09 79.97 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 119.609 -0.837 . . . . 0.0 110.422 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -62.22 -44.84 95.66 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.479 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.6 p -60.51 -39.38 81.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.052 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 73' ' ' GLU . 30.1 m -75.63 -33.51 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.755 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.408 HD13 HD21 ' B' ' 33' ' ' LEU . 9.4 tt -60.9 -42.43 98.01 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.047 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.9 m -73.57 -32.32 35.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.752 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.45 87.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.022 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.71 -42.0 95.59 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.99 -0.684 . . . . 0.0 109.967 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 mt -64.4 -36.02 82.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.412 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.682 HG23 ' CG ' ' A' ' 8' ' ' MET . 71.0 m -52.91 -38.34 61.7 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.827 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 78.6 t -60.22 -35.52 62.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.259 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.9 90.11 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.926 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 10.2 ttp -59.73 -38.85 82.82 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.573 -0.851 . . . . 0.0 108.854 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -58.48 -41.67 85.8 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.278 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -60.96 -41.59 96.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.7 -40.99 94.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.327 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -53.03 -39.01 62.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.947 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.38 -35.61 63.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.437 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.04 -32.93 73.49 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.573 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' B' ' 93' ' ' SER . 26.9 t30 -102.16 128.38 48.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.418 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.748 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 C--O 1.237 0.429 0 CA-C-O 120.977 0.418 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.16 -35.86 78.24 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.9 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.66 -42.76 93.58 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.5 -41.36 93.29 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.569 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -61.55 -42.68 99.19 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.785 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.518 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -67.53 -40.01 85.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.709 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.691 ' CG ' HG23 ' B' ' 82' ' ' THR . 47.4 ttm -60.71 -44.77 96.17 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.1 -32.13 67.8 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.318 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.517 HG21 ' HB2' ' B' ' 7' ' ' ALA . 39.6 m -56.97 -37.07 71.08 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.22 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.1 -41.72 99.44 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.175 -1.01 . . . . 0.0 110.728 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.36 -44.47 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.015 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -60.73 -41.44 95.35 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.849 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.421 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 25.4 m -73.19 -39.28 56.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 C-N-CA 119.735 -0.786 . . . . 0.0 110.307 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -61.19 -47.93 83.89 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.001 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.9 -46.63 86.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.178 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.78 -49.1 69.55 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 120.099 -0.64 . . . . 0.0 112.022 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.578 ' CD2' ' OE2' ' A' ' 40' ' ' GLU . 85.3 m-70 -63.23 -49.03 75.79 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.632 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.539 ' OG ' HD13 ' A' ' 28' ' ' LEU . 19.4 m -62.32 -39.99 94.88 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.058 0.456 . . . . 0.0 111.18 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.21 -35.51 92.17 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-N 115.48 -0.782 . . . . 0.0 113.301 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -58.3 -40.93 83.31 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.538 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -127.44 152.45 47.52 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.923 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.97 -160.42 26.22 Favored Glycine 0 CA--C 1.521 0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.696 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.16 138.36 47.61 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.91 -38.29 85.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.287 0.565 . . . . 0.0 110.469 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -66.82 -32.7 74.15 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -114.99 146.22 41.45 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.733 HD12 ' OE1' ' A' ' 32' ' ' GLU . 12.9 tp -105.24 131.54 52.57 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.33 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.1 t -103.03 148.89 25.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.589 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 38.4 tttt -55.48 -36.92 67.13 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 118.863 -1.135 . . . . 0.0 109.97 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -55.41 -40.72 71.81 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.733 ' OE1' HD12 ' A' ' 28' ' ' LEU . 97.6 mt-10 -66.1 -37.22 85.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 177.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.5 tp -63.34 -46.73 85.28 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.692 -178.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.504 ' CE ' ' NZ ' ' A' ' 30' ' ' LYS . 97.9 mttt -59.7 -44.06 93.84 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 118.055 -1.458 . . . . 0.0 110.341 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.83 -37.21 85.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.433 HD21 ' OE1' ' A' ' 40' ' ' GLU . 8.5 tt -63.7 -44.34 93.96 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -69.69 -42.54 73.98 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.705 179.169 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.82 -43.34 96.52 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 119.395 -0.922 . . . . 0.0 111.908 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.0 m -71.56 -44.18 65.01 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.578 ' OE2' ' CD2' ' A' ' 18' ' ' HIS . 96.4 mt-10 -75.72 -33.21 60.28 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -177.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.642 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.9 tp -101.1 126.71 47.81 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 119.587 -0.845 . . . . 0.0 112.447 -176.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.51 ' C ' ' N ' ' A' ' 44' ' ' PHE . 86.5 p -60.44 -26.64 66.88 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.36 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.642 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -47.98 -13.41 0.2 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.51 ' N ' ' C ' ' A' ' 42' ' ' SER . 88.3 t80 -50.67 -40.15 52.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.278 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.2 tp -57.61 -41.42 81.25 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.187 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -107.6 4.78 26.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 43' ' ' GLY . . . -64.06 -29.25 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.851 ' O ' HG22 ' A' ' 51' ' ' VAL . 93.1 mt-30 -7.58 -98.05 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 41.6 pttt -57.76 -35.23 70.47 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -54.75 -29.44 53.86 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.102 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.851 HG22 ' O ' ' A' ' 48' ' ' GLN . 13.8 m -54.33 -34.9 28.92 Favored 'Isoleucine or valine' 0 C--N 1.337 0.034 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.37 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.9 p30 -59.79 -33.18 71.37 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.445 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.669 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -56.85 -27.14 59.86 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.77 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.0 t -55.41 -40.3 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.0 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.589 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 89.5 m-20 -63.31 -42.6 99.03 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 119.411 -0.916 . . . . 0.0 111.144 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.91 -41.28 97.72 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.3 m -73.56 -34.17 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.26 -38.46 76.97 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.609 -0.837 . . . . 0.0 111.72 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.63 -44.9 96.12 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.915 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -68.21 -43.5 77.88 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.02 -37.57 84.4 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.528 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 45.9 t0 -87.93 104.94 17.1 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.466 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -68.44 -35.51 77.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.503 0.668 . . . . 0.0 109.615 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -59.17 -38.82 80.71 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.103 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.3 6.99 88.96 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 107.94 -2.064 . . . . 0.0 107.94 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.661 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 46.8 p30 -63.13 -33.84 76.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.234 -0.983 . . . . 0.0 113.052 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.661 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.75 -5.44 66.74 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.513 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 96.0 mt-10 -112.19 154.37 25.65 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.4 m -124.6 150.27 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.92 0.867 . . . . 0.0 112.435 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -104.62 163.73 12.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 113.884 -1.507 . . . . 0.0 108.585 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -51.53 -40.95 60.62 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.754 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.482 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.0 tt0 -58.85 -41.76 87.74 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.149 -0.62 . . . . 0.0 111.161 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.3 mt-10 -68.61 -39.06 81.0 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.356 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -63.06 -44.61 95.34 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 72' ' ' GLN . 4.0 p -59.44 -39.24 78.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.616 -178.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 73' ' ' GLU . 34.2 m -75.22 -32.94 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 119.797 -0.761 . . . . 0.0 109.536 177.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.453 ' C ' HD23 ' A' ' 77' ' ' LEU . 10.0 tt -59.19 -42.76 91.64 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.812 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 75' ' ' VAL . 22.2 m -73.7 -32.11 34.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.239 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.17 85.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.333 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.31 95.65 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.049 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 mt -64.62 -35.76 82.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.488 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.68 HG23 ' CG ' ' B' ' 8' ' ' MET . 56.6 m -52.9 -37.3 60.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.695 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.2 t -58.96 -35.78 58.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.277 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.72 -37.16 80.81 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.673 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -59.29 -38.63 80.66 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.606 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -58.09 -44.28 87.55 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.124 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -63.04 -41.21 99.44 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.208 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.598 ' CZ ' ' OE2' ' A' ' 91' ' ' GLU . 67.7 t80 -60.74 -43.8 97.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.725 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -54.29 -36.92 64.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.376 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -52.48 -31.21 33.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.339 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.598 ' OE2' ' CZ ' ' A' ' 88' ' ' PHE . 15.9 pt-20 -58.76 -29.15 66.55 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.37 -178.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -56.07 -34.5 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.516 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.581 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.5 m -63.06 154.01 32.19 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.941 0.401 . . . . 0.0 110.642 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.24 -35.8 78.23 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.929 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.7 -42.66 93.5 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.63 -41.3 92.83 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.439 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -61.6 -42.73 99.28 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.719 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.517 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -67.55 -40.03 84.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.661 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.68 ' CG ' HG23 ' A' ' 82' ' ' THR . 47.4 ttm -60.7 -44.68 96.26 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.26 -32.1 68.05 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.287 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.518 HG21 ' HB2' ' A' ' 7' ' ' ALA . 39.0 m -56.91 -37.15 71.03 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.211 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.13 -41.71 99.36 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.164 -1.014 . . . . 0.0 110.735 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.19 -44.58 95.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.047 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.76 -41.35 95.27 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.847 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.423 ' O ' ' CD2' ' B' ' 18' ' ' HIS . 25.2 m -73.18 -39.38 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.323 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -61.13 -47.84 84.37 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.069 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.02 -46.59 86.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.169 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.86 -48.96 69.82 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.975 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.578 ' CD2' ' OE2' ' B' ' 40' ' ' GLU . 85.5 m-70 -63.33 -49.06 75.43 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.601 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.534 ' OG ' HD13 ' B' ' 28' ' ' LEU . 19.3 m -62.24 -40.05 94.89 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.228 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.15 -35.57 92.26 Favored Glycine 0 CA--C 1.524 0.651 0 CA-C-N 115.392 -0.822 . . . . 0.0 113.252 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -58.3 -40.99 83.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -127.33 152.39 47.53 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.948 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.03 -160.39 26.56 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -72.21 138.4 47.52 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.91 -38.2 84.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.212 0.53 . . . . 0.0 110.518 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -66.92 -32.71 74.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -178.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -114.92 146.05 41.56 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.734 HD12 ' OE1' ' B' ' 32' ' ' GLU . 12.9 tp -105.1 131.45 52.58 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.347 178.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.3 t -102.98 148.86 25.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.587 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 38.5 tttt -55.41 -36.89 66.93 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 118.906 -1.118 . . . . 0.0 109.978 -178.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -55.48 -40.64 71.95 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.734 ' OE1' HD12 ' B' ' 28' ' ' LEU . 97.6 mt-10 -66.18 -37.14 84.91 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.37 -46.65 85.53 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.68 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.498 ' CE ' ' NZ ' ' B' ' 30' ' ' LYS . 98.0 mttt -59.73 -44.11 93.89 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 118.092 -1.443 . . . . 0.0 110.297 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -65.82 -37.25 85.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.021 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.426 HD21 ' OE1' ' B' ' 40' ' ' GLU . 8.5 tt -63.7 -44.32 94.0 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -69.72 -42.59 73.8 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.687 179.193 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.78 -43.36 96.6 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.886 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -71.51 -44.23 65.02 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.578 ' OE2' ' CD2' ' B' ' 18' ' ' HIS . 96.3 mt-10 -75.66 -33.27 60.42 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -177.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.634 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.8 tp -101.03 126.71 47.73 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 119.612 -0.835 . . . . 0.0 112.478 -176.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.513 ' C ' ' H ' ' B' ' 44' ' ' PHE . 86.9 p -60.45 -26.72 66.96 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.344 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.634 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -47.92 -13.39 0.19 Allowed Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.513 ' H ' ' C ' ' B' ' 42' ' ' SER . 88.5 t80 -50.69 -40.1 53.02 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 120.641 -0.423 . . . . 0.0 111.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.7 -41.42 81.64 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.133 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -107.6 4.95 26.47 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' B' ' 43' ' ' GLY . . . -64.15 -29.18 70.31 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -178.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.867 ' O ' HG22 ' B' ' 51' ' ' VAL . 93.2 mt-30 -7.64 -97.99 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 41.6 pttt -57.79 -35.28 70.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.75 -29.4 53.77 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.056 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.867 HG22 ' O ' ' B' ' 48' ' ' GLN . 13.9 m -54.37 -34.86 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.379 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 52.0 p30 -59.8 -33.17 71.38 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.457 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.669 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.01 -26.96 61.16 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.747 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -55.42 -40.37 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.014 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.587 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 89.3 m-20 -63.34 -42.51 98.95 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 119.465 -0.894 . . . . 0.0 111.156 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.96 -41.35 97.6 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 16.2 m -73.59 -34.05 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.36 -38.38 77.13 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.746 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.71 -44.82 96.19 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.945 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -68.25 -43.52 77.68 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.0 -37.59 84.47 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.541 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 45.8 t0 -87.88 104.98 17.11 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.835 -0.746 . . . . 0.0 111.486 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 60.8 mp0 -68.51 -35.5 77.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.452 0.644 . . . . 0.0 109.604 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -59.19 -38.77 80.65 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.117 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.26 6.97 88.96 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.659 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.0 p30 -63.16 -33.74 76.13 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 114.125 -1.038 . . . . 0.0 113.076 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.659 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.75 -5.42 66.73 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.502 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 96.0 mt-10 -112.2 154.4 25.61 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 19.5 m -124.61 150.25 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.965 0.888 . . . . 0.0 112.373 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -104.64 163.72 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 113.892 -1.504 . . . . 0.0 108.525 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -51.51 -41.08 60.75 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.666 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.481 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.0 tt0 -58.74 -41.69 87.07 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.221 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.451 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.4 mt-10 -68.73 -39.01 80.59 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 119.596 -0.841 . . . . 0.0 110.394 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -63.13 -44.63 95.04 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.481 HG12 ' O ' ' B' ' 72' ' ' GLN . 4.0 p -59.5 -39.17 78.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.644 -178.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.451 HG22 ' O ' ' B' ' 73' ' ' GLU . 34.3 m -75.19 -32.99 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.456 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.454 HD23 ' C ' ' B' ' 77' ' ' LEU . 10.0 tt -59.25 -42.77 91.89 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.796 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.403 HG22 ' O ' ' B' ' 75' ' ' VAL . 21.9 m -73.55 -32.25 35.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 121.252 0.548 . . . . 0.0 111.228 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.12 85.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.389 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.32 95.58 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.976 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.2 mt -64.67 -35.76 82.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.324 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.691 HG23 ' CG ' ' A' ' 8' ' ' MET . 56.7 m -52.95 -37.16 60.77 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.727 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.14 -35.65 58.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.291 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.67 -37.18 80.74 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.749 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -59.38 -38.44 80.51 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.61 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -58.26 -44.2 88.25 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.112 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -63.01 -41.24 99.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.216 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.595 ' CZ ' ' OE2' ' B' ' 91' ' ' GLU . 67.6 t80 -60.75 -43.82 97.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.732 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -54.23 -37.01 64.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.315 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -52.53 -31.05 33.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.364 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.595 ' OE2' ' CZ ' ' B' ' 88' ' ' PHE . 15.9 pt-20 -58.91 -29.09 66.8 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.288 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -56.15 -34.37 66.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.571 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.6 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.235 0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.53 -36.28 78.03 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.934 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.12 -42.84 95.62 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.82 -41.85 91.34 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.769 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.1 m -61.89 -42.71 99.39 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.5 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -67.57 -39.46 84.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.557 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.685 ' CG ' HG23 ' B' ' 82' ' ' THR . 47.2 ttm -60.26 -43.64 96.0 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.879 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.34 -31.53 67.66 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.243 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.516 HG21 ' HB2' ' B' ' 7' ' ' ALA . 38.5 m -56.3 -37.36 69.78 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.032 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 mt -62.3 -41.89 98.9 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 118.863 -1.135 . . . . 0.0 110.135 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.39 -41.59 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.078 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -59.92 -44.0 94.56 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.671 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.506 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 24.3 m -74.71 -39.85 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.401 ' CE1' HD22 ' A' ' 28' ' ' LEU . 66.7 t80 -62.97 -49.77 73.4 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.254 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -64.7 -47.66 77.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.51 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.83 61.87 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 119.995 -0.682 . . . . 0.0 111.653 -178.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.602 ' CG ' HD13 ' A' ' 36' ' ' LEU . 77.4 m80 -61.92 -46.2 90.36 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.262 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 t -61.41 -41.46 97.18 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.08 0.467 . . . . 0.0 110.859 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.505 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . . . -63.13 -39.33 97.85 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.966 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -59.96 -42.57 94.37 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.503 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.2 mt-10 -129.59 148.97 51.54 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.855 -179.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.29 -164.92 53.75 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.41 136.81 49.9 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.505 ' NZ ' ' O ' ' A' ' 20' ' ' GLY . 59.9 mmtt -61.04 -40.96 95.6 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.418 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -69.44 -33.1 72.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -117.77 151.85 36.48 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.401 HD22 ' CE1' ' A' ' 15' ' ' PHE . 30.2 tp -101.11 134.67 43.77 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.633 178.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -103.32 150.66 23.55 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.486 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 68.1 tttt -56.73 -36.96 70.34 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.381 -0.927 . . . . 0.0 110.421 -178.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.61 -41.29 73.24 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 118.77 -1.172 . . . . 0.0 107.941 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.503 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 47.7 mt-10 -67.2 -37.69 84.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 120.161 -0.616 . . . . 0.0 109.932 177.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.7 tp -64.59 -48.14 76.06 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.531 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -60.95 -45.86 93.04 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.913 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.85 -39.14 93.09 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.283 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.71 HD11 ' OE2' ' A' ' 40' ' ' GLU . 34.1 tp -63.99 -47.1 81.66 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.43 -0.508 . . . . 0.0 112.121 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -70.45 -41.48 72.77 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.816 179.552 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.94 -43.02 97.13 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.744 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.5 m -71.38 -44.16 65.51 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.71 ' OE2' HD11 ' A' ' 36' ' ' LEU . 97.1 mt-10 -75.74 -32.65 60.09 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -177.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.591 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 17.3 tp -99.53 126.39 45.48 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 119.78 -0.768 . . . . 0.0 112.725 -176.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' PHE . 22.8 t -57.78 -31.38 66.48 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.77 178.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.591 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -46.26 -14.97 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 42' ' ' SER . 87.2 t80 -51.18 -39.34 56.2 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.049 -0.661 . . . . 0.0 111.51 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.11 -39.97 76.12 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.638 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.52 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 43.9 p30 -97.01 10.51 39.05 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.557 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -60.01 -37.63 80.28 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.732 -178.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.557 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.9 mt-30 22.14 -145.0 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.598 0.561 . . . . 0.0 111.872 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -59.42 -26.91 65.56 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.083 0.468 . . . . 0.0 109.805 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -54.57 -33.14 59.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.924 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.628 ' O ' HG12 ' A' ' 54' ' ' VAL . 6.4 p -53.13 -31.29 17.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.494 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -54.98 -35.87 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.729 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.62 -27.55 58.5 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.034 0.445 . . . . 0.0 109.858 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.1 p -51.89 -37.5 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.486 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 88.5 m-20 -65.23 -41.57 94.27 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.411 178.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -62.67 -39.84 95.19 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 54' ' ' VAL . 13.7 m -70.76 -30.73 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.049 -178.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.7 mmm -56.68 -38.71 72.6 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.32 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.26 -44.5 97.14 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.881 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -67.74 -43.32 80.22 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.288 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.15 -36.77 82.54 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.52 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 47.9 t0 -85.71 103.9 14.93 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.169 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.01 -35.47 78.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.44 0.638 . . . . 0.0 109.527 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -59.1 -38.75 80.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.599 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.49 4.85 90.09 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 107.849 -2.1 . . . . 0.0 107.849 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.5 p30 -63.74 -33.27 75.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.123 -1.038 . . . . 0.0 112.522 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.32 -2.99 63.58 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -109.1 152.45 25.05 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 t -108.15 133.44 53.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.641 0.734 . . . . 0.0 112.141 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -100.01 159.98 14.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.37 -1.286 . . . . 0.0 107.951 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -51.77 -42.34 62.32 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.095 -1.042 . . . . 0.0 110.001 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.28 -41.52 89.09 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.604 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.453 ' O ' HG22 ' A' ' 76' ' ' VAL . 95.9 mt-10 -68.78 -39.03 80.41 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.321 0.581 . . . . 0.0 110.82 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -63.85 -45.51 89.17 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.452 HG13 ' HB1' ' B' ' 79' ' ' ALA . 3.6 p -60.22 -39.7 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.562 -178.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 73' ' ' GLU . 30.1 m -74.54 -33.29 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.694 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.423 ' C ' HD23 ' A' ' 77' ' ' LEU . 10.0 tt -60.11 -42.1 94.03 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.045 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 75' ' ' VAL . 23.3 m -73.03 -31.77 36.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 120.369 -0.533 . . . . 0.0 111.52 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.445 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -60.86 -37.6 82.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.71 -178.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.86 -43.8 91.79 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.597 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.486 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.3 mp -65.84 -35.09 79.7 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 120.877 0.37 . . . . 0.0 110.368 178.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.681 HG23 ' CG ' ' B' ' 8' ' ' MET . 67.5 m -52.13 -38.63 58.1 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.83 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.81 -35.75 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.595 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.89 94.88 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.15 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 47.9 ttp -60.14 -38.03 81.86 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 119.362 -0.935 . . . . 0.0 108.79 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.72 -42.39 88.6 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.791 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.36 -42.52 98.84 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -60.99 -40.35 93.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.344 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -53.48 -38.98 64.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.903 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -53.92 -34.89 60.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.094 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.19 -33.04 67.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.226 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -102.99 136.79 42.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.409 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.555 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -109.8 147.93 32.39 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.36 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.53 -36.26 77.99 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.9 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.18 -42.8 95.76 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.8 -41.79 91.5 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.837 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -61.8 -42.86 99.54 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.815 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.516 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -67.45 -39.38 85.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.61 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.681 ' CG ' HG23 ' A' ' 82' ' ' THR . 47.2 ttm -60.35 -43.62 96.3 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.877 -178.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.37 -31.52 67.72 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.247 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.5 HG21 ' HB2' ' A' ' 7' ' ' ALA . 38.5 m -56.29 -37.27 69.64 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.101 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 mt -62.4 -41.84 98.98 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.129 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -66.53 -41.48 88.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.039 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.01 -43.91 94.92 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.657 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.514 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 24.6 m -74.71 -39.88 46.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -62.95 -49.79 73.37 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.264 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -64.63 -47.77 77.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.54 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.41 -50.93 61.77 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 120.02 -0.672 . . . . 0.0 111.697 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.601 ' CG ' HD13 ' B' ' 36' ' ' LEU . 77.4 m80 -61.85 -46.25 90.26 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.331 -0.547 . . . . 0.0 111.289 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.6 t -61.37 -41.33 96.92 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.436 ' O ' ' NZ ' ' B' ' 25' ' ' LYS . . . -63.23 -39.27 97.7 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.944 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -59.97 -42.66 94.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.498 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.2 mt-10 -129.51 148.99 51.47 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.808 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.37 -164.99 53.73 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.36 136.72 49.93 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.436 ' NZ ' ' O ' ' B' ' 20' ' ' GLY . 60.0 mmtt -60.91 -41.11 95.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.11 0.481 . . . . 0.0 110.338 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -69.39 -33.13 72.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -117.63 151.78 36.51 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -177.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.6 tp -101.07 134.71 43.67 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 114.488 -1.233 . . . . 0.0 109.699 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -103.35 150.6 23.64 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.508 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 68.0 tttt -56.62 -37.0 70.09 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.485 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.53 -41.4 73.14 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 118.846 -1.141 . . . . 0.0 107.961 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.498 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 47.8 mt-10 -67.16 -37.68 84.18 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.965 177.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.63 -48.25 75.53 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.451 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -60.8 -45.97 92.32 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.945 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.74 -39.07 93.02 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.332 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.7 HD11 ' OE2' ' B' ' 40' ' ' GLU . 34.2 tp -64.11 -47.04 81.53 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.472 -0.491 . . . . 0.0 112.071 -178.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.9 OUTLIER -70.45 -41.61 72.59 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.723 179.599 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.89 -43.04 97.19 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 119.712 -0.795 . . . . 0.0 111.783 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.7 m -71.36 -44.18 65.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.7 ' OE2' HD11 ' B' ' 36' ' ' LEU . 97.2 mt-10 -75.75 -32.61 60.06 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.593 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 17.2 tp -99.56 126.38 45.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 119.763 -0.775 . . . . 0.0 112.692 -176.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.491 ' O ' ' N ' ' B' ' 44' ' ' PHE . 22.7 t -57.77 -31.42 66.5 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.756 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.593 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -46.15 -15.02 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' B' ' 42' ' ' SER . 87.4 t80 -51.13 -39.37 56.1 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.568 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.13 -39.9 76.07 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.607 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.515 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 43.9 p30 -97.15 10.54 39.13 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.556 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -60.03 -37.71 80.6 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.707 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.556 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.9 mt-30 22.14 -145.06 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.554 0.534 . . . . 0.0 111.907 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -59.41 -26.75 65.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.084 0.469 . . . . 0.0 109.87 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.7 -33.15 60.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.917 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.631 ' O ' HG12 ' B' ' 54' ' ' VAL . 6.4 p -53.07 -31.32 17.33 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.489 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.04 -35.74 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.757 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.74 -27.35 59.15 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.136 0.494 . . . . 0.0 109.887 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.631 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.2 p -52.0 -37.59 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.508 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 87.9 m-20 -65.12 -41.51 94.79 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.51 178.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.81 -39.71 95.14 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.428 HG22 ' O ' ' B' ' 54' ' ' VAL . 13.5 m -70.74 -30.95 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.966 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.7 mmm -56.62 -38.72 72.49 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.283 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.3 -44.5 97.11 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.746 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -67.72 -43.33 80.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.314 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.1 -36.86 82.86 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 47.9 t0 -85.72 103.95 14.98 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 119.822 -0.751 . . . . 0.0 111.205 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.98 -35.49 78.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.392 0.615 . . . . 0.0 109.539 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -59.12 -38.74 80.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.604 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.51 4.83 90.11 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.647 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 48.0 p30 -63.76 -33.2 75.14 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.205 -0.998 . . . . 0.0 112.465 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.647 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.33 -3.1 63.62 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.616 -0.993 . . . . 0.0 110.616 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -109.01 152.4 25.04 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 34.3 t -108.13 133.33 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 112.172 -177.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -99.9 159.95 14.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.022 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -51.72 -42.35 62.2 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.146 -1.021 . . . . 0.0 110.01 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.28 -41.51 89.07 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.604 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.447 ' O ' HG22 ' B' ' 76' ' ' VAL . 95.9 mt-10 -68.86 -38.96 80.07 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.888 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -63.85 -45.56 88.95 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.445 HG13 ' HB1' ' A' ' 79' ' ' ALA . 3.5 p -60.11 -39.61 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.634 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.447 HG22 ' O ' ' B' ' 73' ' ' GLU . 30.5 m -74.74 -33.28 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.572 178.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.423 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.9 tt -60.01 -42.17 93.71 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.43 HG22 ' O ' ' B' ' 75' ' ' VAL . 23.2 m -73.02 -31.73 36.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.54 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.452 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -60.81 -37.78 83.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.732 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.82 92.09 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.618 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.505 HD12 ' H ' ' B' ' 81' ' ' LEU . 6.3 mp -65.89 -35.01 79.46 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.342 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.685 HG23 ' CG ' ' A' ' 8' ' ' MET . 70.5 m -52.19 -38.62 58.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.789 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.83 -35.76 66.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.573 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.84 94.75 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.366 -0.534 . . . . 0.0 111.041 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 48.0 ttp -60.14 -38.02 81.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 119.439 -0.904 . . . . 0.0 108.791 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.77 -42.46 88.99 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.728 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.25 -42.53 98.78 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.304 0.573 . . . . 0.0 109.463 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -60.98 -40.29 92.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.416 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -53.53 -39.08 64.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.812 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -53.71 -34.99 60.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.164 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.16 -33.0 66.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.284 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.02 136.79 42.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.443 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.667 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.49 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 29.5 t . . . . . 0 C--O 1.236 0.37 0 CA-C-O 120.952 0.405 . . . . 0.0 110.487 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.06 -37.46 71.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.761 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.0 tp -59.37 -42.69 92.18 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.376 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.805 ' OE2' HD12 ' B' ' 41' ' ' LEU . 76.9 mm-40 -66.38 -38.51 87.71 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.393 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 m -60.34 -43.02 96.83 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.172 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.478 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -68.06 -39.31 83.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.045 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.706 ' CG ' HG23 ' B' ' 82' ' ' THR . 47.1 ttm -60.14 -43.65 95.55 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -57.86 -31.11 66.37 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.262 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.472 HG21 ' HB2' ' B' ' 7' ' ' ALA . 39.0 m -56.0 -37.69 69.46 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.293 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.25 -42.44 99.18 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.186 -1.005 . . . . 0.0 110.818 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.572 ' CG2' ' CE1' ' A' ' 16' ' ' HIS . 74.7 mt -65.38 -43.68 94.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.952 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -60.41 -41.07 93.14 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.709 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.403 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 29.9 m -73.22 -38.02 53.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.404 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -60.59 -48.79 80.2 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.651 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.572 ' CE1' ' CG2' ' A' ' 12' ' ' ILE . 54.7 m170 -62.38 -46.05 90.39 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.196 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.59 -48.54 74.57 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.785 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.499 ' CB ' HD12 ' A' ' 36' ' ' LEU . 72.9 m80 -62.58 -47.38 84.06 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.214 -0.595 . . . . 0.0 111.67 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 22' ' ' GLU . 22.9 t -61.26 -41.0 96.17 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.973 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.28 96.21 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.42 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.05 -41.17 87.24 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.48 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.6 mt-10 -125.4 149.33 48.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 111.19 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.76 -162.05 3.4 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -73.14 135.67 44.73 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.01 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -60.03 -39.0 84.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.08 0.466 . . . . 0.0 110.869 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -64.87 -32.01 73.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.368 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -114.82 141.47 47.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.311 0.577 . . . . 0.0 111.912 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -110.7 132.88 53.81 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.447 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.9 m -104.09 150.96 23.83 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.439 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 25.7 tttm -56.07 -35.73 67.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 118.644 -1.222 . . . . 0.0 109.371 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.54 -40.85 72.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.48 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.3 mt-10 -66.32 -37.52 85.56 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.446 HD21 ' CD1' ' A' ' 77' ' ' LEU . 28.0 tp -62.42 -44.22 96.95 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.052 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -59.91 -42.59 94.24 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.218 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.23 -40.49 94.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.339 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.499 HD12 ' CB ' ' A' ' 18' ' ' HIS . 8.4 tt -64.92 -43.49 92.64 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.024 -179.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.422 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -68.48 -43.5 76.79 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 120.491 -0.483 . . . . 0.0 112.161 -179.819 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.57 -43.66 93.18 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.952 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.1 m -71.73 -47.04 56.49 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.492 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.6 mm-40 -76.89 -33.82 57.78 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -177.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.819 HD12 ' OE2' ' B' ' 5' ' ' GLU . 12.2 tp -103.0 138.81 39.38 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.576 0.703 . . . . 0.0 112.751 -176.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.621 ' O ' ' N ' ' A' ' 44' ' ' PHE . 26.5 m -51.35 -27.0 8.58 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.568 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -43.51 -10.27 0.01 OUTLIER Glycine 0 CA--C 1.524 0.609 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.472 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 42' ' ' SER . 60.4 t80 -45.59 -37.57 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.8 -35.92 69.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.732 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.568 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 33.1 p30 -83.64 11.35 7.39 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.922 0.391 . . . . 0.0 110.686 -179.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.505 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -58.16 -25.01 60.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.529 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.669 ' O ' HG12 ' A' ' 51' ' ' VAL . 94.5 mm-40 -54.88 -152.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.992 0.425 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -56.43 -27.92 58.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.774 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.92 -35.03 63.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.912 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.706 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.6 p -53.7 -29.55 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.698 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.65 -34.95 60.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.71 -28.71 61.43 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.387 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.706 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.8 p -55.34 -34.67 34.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.142 0.496 . . . . 0.0 109.838 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -64.6 -43.16 94.7 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.939 -0.705 . . . . 0.0 112.089 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -69.37 -45.97 68.08 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.476 0.655 . . . . 0.0 112.072 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.87 -32.13 55.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.637 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.439 ' SD ' ' HD2' ' A' ' 30' ' ' LYS . 17.8 ttt -55.77 -38.39 69.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.441 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -59.16 -40.76 86.57 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.742 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.73 -39.55 88.03 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.203 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.1 mt -67.59 -37.31 82.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.852 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.499 ' OD1' ' OE2' ' A' ' 73' ' ' GLU . 64.9 t0 -85.92 107.44 17.72 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.243 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.84 -35.88 81.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.162 0.506 . . . . 0.0 110.004 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -59.09 -38.77 80.31 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.191 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.79 14.03 81.81 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 108.742 -1.743 . . . . 0.0 108.742 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.5 p30 -90.09 2.53 55.15 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.26 9.56 60.97 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -105.22 143.22 33.69 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.5 t -108.98 130.36 62.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-O 121.763 0.792 . . . . 0.0 111.488 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -110.63 160.85 16.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.754 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -53.28 -41.77 65.91 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.641 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.495 ' O ' HG12 ' A' ' 75' ' ' VAL . 63.4 tt0 -59.39 -40.81 87.75 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.05 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.499 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 92.7 mt-10 -67.46 -38.35 84.31 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.712 -0.795 . . . . 0.0 109.812 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.425 ' CE2' HG11 ' A' ' 78' ' ' VAL . 76.7 t80 -63.11 -44.3 96.04 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.249 -0.887 . . . . 0.0 113.322 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 72' ' ' GLN . 2.8 p -59.77 -38.88 78.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 119.764 -0.775 . . . . 0.0 110.655 -178.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 73' ' ' GLU . 30.7 m -75.66 -34.23 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.861 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.446 ' CD1' HD21 ' A' ' 33' ' ' LEU . 10.0 tt -60.2 -42.09 94.37 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.179 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.425 HG11 ' CE2' ' A' ' 74' ' ' TYR . 23.1 m -73.25 -33.47 41.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 120.219 -0.593 . . . . 0.0 111.133 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.436 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -62.13 -38.89 90.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.225 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.18 -42.82 93.26 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.312 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.7 mt -64.57 -36.67 84.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.608 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.703 HG23 ' CG ' ' B' ' 8' ' ' MET . 59.0 m -53.22 -37.86 62.39 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.804 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.401 HG21 ' HG3' ' B' ' 72' ' ' GLN . 85.8 t -60.07 -35.27 60.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.215 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.12 -34.36 76.2 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.772 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.433 ' HE1' HD12 ' B' ' 12' ' ' ILE . 4.7 ttp -58.6 -38.17 77.41 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.378 -179.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -57.93 -42.73 85.45 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -62.42 -40.94 98.18 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 113.794 -1.548 . . . . 0.0 110.172 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.56 -41.14 93.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.401 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -53.11 -39.53 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.892 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.8 -34.85 63.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.701 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.25 -32.72 72.53 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.66 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -100.05 120.0 39.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.538 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.58 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.627 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.492 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 29.0 t -107.41 142.41 37.28 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.993 0.425 . . . . 0.0 110.52 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.07 -37.45 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.818 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 tp -59.39 -42.59 92.07 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.503 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.819 ' OE2' HD12 ' A' ' 41' ' ' LEU . 76.9 mm-40 -66.37 -38.56 87.84 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.35 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.4 m -60.14 -43.19 95.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.22 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.472 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -67.98 -39.4 83.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.999 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.703 ' CG ' HG23 ' A' ' 82' ' ' THR . 47.2 ttm -60.15 -43.67 95.58 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.381 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -57.83 -31.08 66.28 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.32 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.478 HG21 ' HB2' ' A' ' 7' ' ' ALA . 39.1 m -56.12 -37.65 69.71 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.237 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.2 -42.47 99.31 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 119.16 -1.016 . . . . 0.0 110.828 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.578 ' CG2' ' CE1' ' B' ' 16' ' ' HIS . 74.5 mt -65.33 -43.66 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.052 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.53 -40.99 93.48 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.595 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 30.2 m -73.24 -38.07 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.424 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.49 -48.86 79.93 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.703 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.578 ' CE1' ' CG2' ' B' ' 12' ' ' ILE . 54.6 m170 -62.27 -46.11 90.27 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.264 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.57 -48.43 75.02 Favored 'General case' 0 C--N 1.334 -0.097 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.869 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.495 ' CB ' HD12 ' B' ' 36' ' ' LEU . 72.9 m80 -62.73 -47.27 84.31 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.636 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.473 ' O ' ' O ' ' B' ' 22' ' ' GLU . 22.9 t -61.38 -40.96 96.27 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.989 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.18 -38.32 96.32 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.44 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.08 -41.14 87.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.495 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.6 mt-10 -125.37 149.24 48.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 111.233 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.86 -162.04 3.52 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.36 135.8 44.33 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.556 -0.457 . . . . 0.0 109.976 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -60.01 -39.04 84.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.038 0.447 . . . . 0.0 110.861 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -64.93 -31.97 73.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.332 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -114.76 141.44 47.85 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.317 0.58 . . . . 0.0 111.978 -178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -110.77 132.82 53.87 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.439 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.7 m -104.09 151.04 23.75 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.433 ' HD2' ' SD ' ' B' ' 58' ' ' MET . 25.7 tttm -56.11 -35.78 67.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 118.655 -1.218 . . . . 0.0 109.279 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.49 -40.91 72.29 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.495 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.4 mt-10 -66.28 -37.49 85.56 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.45 HD21 ' CD1' ' B' ' 77' ' ' LEU . 27.9 tp -62.45 -44.21 96.95 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.108 -178.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -59.85 -42.65 94.08 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 119.025 -1.07 . . . . 0.0 110.26 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.17 -40.51 94.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.338 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.495 HD12 ' CB ' ' B' ' 18' ' ' HIS . 8.4 tt -64.89 -43.55 92.55 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.201 -0.599 . . . . 0.0 111.072 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' B' ' 37' ' ' LEU . 0.5 OUTLIER -68.43 -43.46 77.07 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 120.502 -0.479 . . . . 0.0 112.207 -179.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.57 -43.67 93.13 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.052 -1.059 . . . . 0.0 111.995 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -71.77 -46.94 56.73 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.49 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 77.6 mm-40 -76.97 -33.77 57.61 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.805 HD12 ' OE2' ' A' ' 5' ' ' GLU . 12.2 tp -103.04 138.87 39.33 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.572 0.701 . . . . 0.0 112.734 -176.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.623 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.5 m -51.33 -27.01 8.52 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.555 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -43.46 -10.35 0.01 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.623 ' N ' ' O ' ' B' ' 42' ' ' SER . 60.3 t80 -45.58 -37.59 5.66 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.73 -35.99 69.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.783 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.555 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 33.2 p30 -83.63 11.49 7.16 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.926 0.393 . . . . 0.0 110.697 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -58.17 -25.03 61.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.54 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.655 ' O ' HG12 ' B' ' 51' ' ' VAL . 94.5 mm-40 -54.89 -152.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.967 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -56.42 -27.99 58.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.696 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.91 -35.05 63.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.969 0.414 . . . . 0.0 109.886 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.701 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.6 p -53.81 -29.39 17.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.682 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.72 -34.94 60.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.74 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.72 -28.8 61.65 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.337 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.701 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.8 p -55.33 -34.6 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.88 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -64.55 -43.24 94.58 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.979 -0.688 . . . . 0.0 112.069 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -69.29 -45.98 68.3 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.531 0.681 . . . . 0.0 112.124 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.9 -32.15 55.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.628 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.433 ' SD ' ' HD2' ' B' ' 30' ' ' LYS . 17.9 ttt -55.73 -38.32 69.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.437 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -59.14 -40.85 86.8 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.748 -178.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.68 -39.66 88.22 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 67.2 mt -67.51 -37.36 82.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.855 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.496 ' OD1' ' OE2' ' B' ' 73' ' ' GLU . 65.0 t0 -85.98 107.51 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.227 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.01 -35.78 80.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.978 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -59.02 -38.78 80.09 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.227 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.71 14.14 81.6 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 108.739 -1.745 . . . . 0.0 108.739 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -90.1 2.47 55.23 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.29 9.53 61.01 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -105.12 143.16 33.68 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.0 130.32 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-O 121.693 0.759 . . . . 0.0 111.586 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -110.66 160.8 16.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.432 -1.258 . . . . 0.0 108.695 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -53.13 -41.87 65.49 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.22 -0.992 . . . . 0.0 109.612 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.501 ' O ' HG12 ' B' ' 75' ' ' VAL . 63.3 tt0 -59.41 -40.82 87.86 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.052 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.496 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 92.8 mt-10 -67.38 -38.45 84.73 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.807 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.421 ' CE2' HG11 ' B' ' 78' ' ' VAL . 77.0 t80 -63.13 -44.32 95.91 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.249 -0.887 . . . . 0.0 113.298 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.501 HG12 ' O ' ' B' ' 72' ' ' GLN . 2.7 p -59.73 -38.85 77.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.693 -178.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.491 HG22 ' O ' ' B' ' 73' ' ' GLU . 30.9 m -75.67 -34.2 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.918 178.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.45 ' CD1' HD21 ' B' ' 33' ' ' LEU . 10.0 tt -60.24 -42.08 94.51 Favored 'General case' 0 C--O 1.23 0.055 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.116 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.421 HG11 ' CE2' ' B' ' 74' ' ' TYR . 23.2 m -73.25 -33.4 41.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.185 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.424 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -62.32 -38.77 90.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.196 -178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.16 -42.87 93.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.309 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.3 mt -64.54 -36.67 84.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.553 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.706 HG23 ' CG ' ' A' ' 8' ' ' MET . 59.6 m -53.16 -38.02 62.39 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.727 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 83.4 t -59.87 -35.38 60.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.279 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.42 76.23 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.847 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.495 ' HE1' HD12 ' A' ' 12' ' ' ILE . 4.7 ttp -58.58 -38.19 77.38 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 119.821 -0.751 . . . . 0.0 110.334 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -57.84 -42.88 85.32 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -62.41 -40.9 98.03 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.216 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.61 -41.12 94.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.387 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -53.12 -39.46 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.948 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.85 -34.78 63.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.738 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.38 -32.62 72.54 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.624 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.09 120.03 39.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.532 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.56 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.517 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 46.6 t . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.76 0.314 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -61.87 -37.37 84.3 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -61.64 -41.43 97.5 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.988 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.27 -40.97 94.61 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.445 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.5 m -62.04 -43.19 99.38 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.777 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.75 85.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.309 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.603 ' CG ' HG23 ' B' ' 82' ' ' THR . 65.2 ttp -61.44 -43.34 99.04 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.326 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.37 -31.37 67.58 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.066 0.46 . . . . 0.0 110.134 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.3 m -56.39 -35.87 68.24 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.83 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.5 mt -60.3 -41.38 93.3 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 118.94 -1.104 . . . . 0.0 110.959 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.431 HG22 ' CD2' ' A' ' 16' ' ' HIS . 77.2 mt -63.98 -47.22 91.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.034 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -60.17 -43.03 96.15 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.425 ' C ' ' HD1' ' A' ' 18' ' ' HIS . 26.5 m -71.72 -35.9 57.13 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 C-N-CA 119.946 -0.702 . . . . 0.0 110.259 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -60.1 -49.83 76.08 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.729 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.431 ' CD2' HG22 ' A' ' 12' ' ' ILE . 94.5 m-70 -63.8 -47.09 82.26 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.3 -51.58 55.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 120.019 -0.672 . . . . 0.0 112.087 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.439 ' CD2' ' CD1' ' A' ' 36' ' ' LEU . 75.5 m80 -62.23 -46.99 86.39 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.292 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.571 ' OG ' HD13 ' A' ' 28' ' ' LEU . 19.7 m -61.59 -38.86 89.1 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.122 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.52 -38.19 95.95 Favored Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -59.6 -40.05 86.23 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -126.22 155.69 41.43 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -177.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.22 -136.92 48.03 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-N 114.495 -1.23 . . . . 0.0 112.857 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.507 ' O ' ' O ' ' A' ' 27' ' ' LYS . 60.3 t0 -82.85 119.8 24.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -59.35 -38.42 80.34 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.474 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -67.29 -33.04 74.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.426 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.507 ' O ' ' O ' ' A' ' 24' ' ' ASP . 97.0 mttt -121.27 150.89 40.71 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.639 0.733 . . . . 0.0 112.954 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.571 HD13 ' OG ' ' A' ' 19' ' ' SER . 22.5 tp -101.48 131.6 47.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.7 178.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -103.9 151.37 23.22 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.882 0.372 . . . . 0.0 110.013 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.687 ' NZ ' ' SD ' ' A' ' 58' ' ' MET . 38.3 tttt -57.33 -37.84 73.16 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.094 -178.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -56.29 -41.57 76.13 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.552 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.4 mt-10 -66.57 -37.12 84.26 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.076 177.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.77 HD11 ' CD2' ' A' ' 77' ' ' LEU . 16.1 tp -64.98 -46.66 80.55 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.404 ' HB3' HE21 ' A' ' 38' ' ' GLN . 29.6 mtmt -60.16 -47.79 84.44 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 118.629 -1.228 . . . . 0.0 109.76 -178.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' OG1' ' A' ' 39' ' ' THR . 84.4 tt0 -62.82 -39.98 95.97 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.005 -1.452 . . . . 0.0 111.686 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' CD1' ' CD2' ' A' ' 18' ' ' HIS . 39.7 tp -65.61 -47.93 74.0 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.453 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.566 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -69.89 -43.98 70.65 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 119.558 -0.857 . . . . 0.0 111.841 -179.687 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.404 HE21 ' HB3' ' A' ' 34' ' ' LYS . 57.5 mt-30 -65.46 -41.67 93.15 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.85 -0.74 . . . . 0.0 111.414 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 48.5 m -69.47 -44.38 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.507 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 76.0 mm-40 -76.26 -33.84 59.16 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.0 mt -100.04 150.8 22.07 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.608 ' O ' ' N ' ' A' ' 44' ' ' PHE . 26.3 m -53.61 -28.0 30.0 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 113.837 -1.528 . . . . 0.0 108.078 178.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -44.91 -8.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.606 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.508 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.608 ' N ' ' O ' ' A' ' 42' ' ' SER . 66.7 t80 -48.47 -37.77 18.21 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -55.4 -35.8 65.73 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 48' ' ' GLN . 52.5 t0 -54.37 -31.29 54.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.562 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -32.87 -23.08 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.901 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.658 ' N ' ' O ' ' A' ' 46' ' ' ASP . 94.1 mt-30 -51.5 -174.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -56.37 -28.63 59.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.381 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.27 -34.19 63.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.18 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.641 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.1 p -52.18 -27.17 9.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.944 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -53.0 -35.38 59.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.682 0.277 . . . . 0.0 111.017 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.26 -28.23 62.78 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.053 0.454 . . . . 0.0 110.175 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.641 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.6 p -53.12 -36.76 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.567 ' HA ' ' HZ1' ' A' ' 30' ' ' LYS . 88.8 m-20 -65.27 -42.57 93.09 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.034 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -63.1 -41.17 99.33 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.5 m -73.76 -29.32 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.687 ' SD ' ' NZ ' ' A' ' 30' ' ' LYS . 16.6 ttt -54.62 -38.26 66.6 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.014 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -59.01 -39.98 83.51 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.532 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.36 -39.78 89.36 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.516 ' CD1' HD12 ' A' ' 77' ' ' LEU . 73.7 mt -67.69 -37.89 82.93 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.737 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.513 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 57.0 t0 -87.37 103.74 15.77 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.17 -179.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.6 -34.74 76.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.289 0.566 . . . . 0.0 110.358 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -57.9 -38.98 76.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.342 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.12 5.7 81.37 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 107.785 -2.126 . . . . 0.0 107.785 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.8 p30 -63.4 -33.33 75.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.043 -1.079 . . . . 0.0 113.017 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.653 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.14 -1.99 63.24 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -109.81 153.72 24.0 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.404 HG21 HD22 ' A' ' 33' ' ' LEU . 43.0 t -106.98 132.91 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 0.0 111.432 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 56.8 t0 -102.86 155.29 18.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.054 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.481 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 80.1 t80 -51.82 -41.56 61.86 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.129 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.471 ' O ' HG12 ' A' ' 75' ' ' VAL . 63.6 tt0 -58.69 -40.5 83.81 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.869 -0.732 . . . . 0.0 110.206 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.498 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 95.0 mt-10 -67.4 -38.48 84.72 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.67 0.747 . . . . 0.0 109.852 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -62.94 -44.78 95.14 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.148 -0.933 . . . . 0.0 113.208 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.532 HG13 ' HB1' ' B' ' 79' ' ' ALA . 2.6 p -60.32 -39.73 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.81 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 73' ' ' GLU . 31.1 m -74.73 -33.35 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.482 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.77 ' CD2' HD11 ' A' ' 33' ' ' LEU . 15.2 tp -57.64 -45.54 85.32 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.924 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.44 -32.71 43.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.743 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.533 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -61.71 -37.88 85.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.368 -179.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.75 -44.75 84.95 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.178 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.447 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.2 mp -65.62 -35.77 81.78 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.656 179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.61 HG23 ' CG ' ' B' ' 8' ' ' MET . 65.6 m -52.8 -38.24 60.95 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.391 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.94 -34.87 61.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.633 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.47 84.48 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.635 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.3 ttt -59.84 -39.14 84.12 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.453 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -57.79 -42.58 84.44 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.389 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.64 -41.61 97.74 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.504 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.28 -41.34 93.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.649 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -53.79 -39.53 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.925 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -54.47 -34.76 62.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.237 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -57.48 -33.22 67.77 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.504 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -103.25 136.86 42.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.499 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.568 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.743 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.507 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 46.7 t -107.56 139.95 41.31 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.711 0.291 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -61.74 -37.54 84.6 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -61.53 -41.51 97.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.012 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.21 -41.06 94.85 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.385 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.9 m -61.97 -43.23 99.27 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.703 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.74 85.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.213 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.61 ' CG ' HG23 ' A' ' 82' ' ' THR . 65.2 ttp -61.4 -43.33 99.05 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.41 -31.3 67.58 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.022 0.439 . . . . 0.0 110.127 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -56.5 -35.89 68.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.75 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.4 mt -60.31 -41.33 93.24 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 118.897 -1.121 . . . . 0.0 111.005 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.422 HG22 ' CD2' ' B' ' 16' ' ' HIS . 77.4 mt -63.96 -47.24 91.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.027 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -60.16 -42.98 96.07 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.439 ' C ' ' HD1' ' B' ' 18' ' ' HIS . 26.5 m -71.79 -35.88 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.244 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.07 -49.82 76.13 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 119.399 -0.921 . . . . 0.0 109.752 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.422 ' CD2' HG22 ' B' ' 12' ' ' ILE . 94.6 m-70 -63.68 -47.23 82.03 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.3 -51.46 57.17 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 119.963 -0.695 . . . . 0.0 112.152 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.448 ' CD2' ' CD1' ' B' ' 36' ' ' LEU . 75.5 m80 -62.27 -47.03 86.16 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.259 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.561 ' OG ' HD13 ' B' ' 28' ' ' LEU . 19.7 m -61.66 -38.8 89.09 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.117 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.54 -38.25 96.05 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 115.054 -0.976 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -59.61 -39.98 85.99 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.547 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -126.27 155.71 41.47 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.17 -136.93 47.91 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 114.441 -1.254 . . . . 0.0 112.794 177.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.506 ' O ' ' O ' ' B' ' 27' ' ' LYS . 60.3 t0 -82.81 119.88 24.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -59.33 -38.39 80.23 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.572 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -67.29 -33.06 74.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.457 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.506 ' O ' ' O ' ' B' ' 24' ' ' ASP . 96.9 mttt -121.18 150.99 40.47 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -178.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.561 HD13 ' OG ' ' B' ' 19' ' ' SER . 22.3 tp -101.58 131.57 47.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.663 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -103.92 151.38 23.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.064 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.681 ' NZ ' ' SD ' ' B' ' 58' ' ' MET . 38.2 tttt -57.39 -37.79 73.23 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.074 -178.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -56.27 -41.57 76.04 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.547 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -66.55 -37.09 84.24 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.098 177.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.76 HD11 ' CD2' ' B' ' 77' ' ' LEU . 16.1 tp -65.01 -46.77 80.01 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -60.11 -47.74 84.62 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 118.637 -1.225 . . . . 0.0 109.789 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.9 -39.85 95.77 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.046 -1.434 . . . . 0.0 111.719 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.448 ' CD1' ' CD2' ' B' ' 18' ' ' HIS . 39.7 tp -65.81 -47.79 73.9 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.092 -0.643 . . . . 0.0 112.422 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.5 OUTLIER -69.91 -43.91 70.77 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 119.529 -0.869 . . . . 0.0 111.903 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -65.55 -41.63 92.78 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.756 -0.777 . . . . 0.0 111.395 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.7 m -69.48 -44.36 71.3 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.517 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 75.9 mm-40 -76.24 -33.9 59.19 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 72.5 mt -99.97 150.86 21.98 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.611 ' O ' ' N ' ' B' ' 44' ' ' PHE . 27.1 m -53.63 -28.04 30.56 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 113.889 -1.505 . . . . 0.0 108.037 178.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' B' ' 46' ' ' ASP . . . -44.87 -8.87 0.01 OUTLIER Glycine 0 CA--C 1.524 0.606 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.511 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.611 ' N ' ' O ' ' B' ' 42' ' ' SER . 66.8 t80 -48.57 -37.65 18.47 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 28.4 tp -55.48 -35.82 65.95 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' B' ' 48' ' ' GLN . 52.5 t0 -54.39 -31.24 54.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.54 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -32.88 -23.05 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.912 -178.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.651 ' N ' ' O ' ' B' ' 46' ' ' ASP . 94.0 mt-30 -51.48 -174.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -56.28 -28.67 59.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.866 0.365 . . . . 0.0 110.433 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.33 -34.17 63.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.169 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.64 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.0 p -52.08 -27.27 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.981 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -53.01 -35.34 59.29 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.048 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.17 -28.34 62.7 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.153 0.501 . . . . 0.0 110.215 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.64 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.5 p -53.02 -36.81 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.545 ' HA ' ' HZ1' ' B' ' 30' ' ' LYS . 88.7 m-20 -65.19 -42.69 93.36 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.981 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -63.01 -41.19 99.5 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 19.6 m -73.84 -29.3 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.681 ' SD ' ' NZ ' ' B' ' 30' ' ' LYS . 16.5 ttt -54.59 -38.24 66.5 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.068 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -59.0 -40.03 83.64 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.538 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.25 -39.92 89.84 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.515 ' CD1' HD12 ' B' ' 77' ' ' LEU . 73.3 mt -67.57 -37.95 83.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.733 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.499 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 57.2 t0 -87.42 103.81 15.85 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.181 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.63 -34.71 76.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.257 0.551 . . . . 0.0 110.324 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -57.92 -38.9 76.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.374 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.05 5.63 80.91 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 107.811 -2.116 . . . . 0.0 107.811 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.7 p30 -63.35 -33.37 75.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.004 -1.098 . . . . 0.0 113.037 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.645 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.1 -1.81 63.18 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.413 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 96.3 mt-10 -109.84 153.73 24.02 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.424 HG21 HD22 ' B' ' 33' ' ' LEU . 43.0 t -106.96 132.95 53.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.561 0.696 . . . . 0.0 111.474 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 56.8 t0 -102.86 155.29 18.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.008 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.472 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 80.4 t80 -51.69 -41.71 61.63 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.083 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.484 ' O ' HG12 ' B' ' 75' ' ' VAL . 63.6 tt0 -58.72 -40.41 83.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.209 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.495 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 95.0 mt-10 -67.45 -38.45 84.49 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.657 0.741 . . . . 0.0 109.896 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -62.98 -44.7 95.32 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.05 -0.977 . . . . 0.0 113.197 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.533 HG13 ' HB1' ' A' ' 79' ' ' ALA . 2.5 p -60.41 -39.74 81.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.767 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 73' ' ' GLU . 31.1 m -74.74 -33.43 31.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 120.186 -0.605 . . . . 0.0 109.381 178.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.76 ' CD2' HD11 ' B' ' 33' ' ' LEU . 15.1 tp -57.52 -45.61 84.79 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.973 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 m -72.43 -32.6 42.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.832 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.532 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -61.64 -37.97 85.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.329 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.82 -44.75 84.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.122 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.454 HD12 ' H ' ' B' ' 81' ' ' LEU . 6.2 mp -65.64 -35.81 81.87 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 120.499 -0.481 . . . . 0.0 110.549 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.603 HG23 ' CG ' ' A' ' 8' ' ' MET . 64.3 m -52.74 -38.23 60.57 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.442 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 87.0 t -60.94 -34.92 61.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.67 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.46 84.41 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.675 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 25.3 ttt -59.78 -39.11 83.79 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.536 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -57.85 -42.53 84.62 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.304 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.75 -41.53 97.8 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.455 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.31 -41.29 93.16 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.684 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.85 -39.5 65.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.961 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -54.5 -34.72 62.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.208 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -57.48 -33.29 67.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.501 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -103.22 136.8 42.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.48 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.518 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 p . . . . . 0 C--O 1.234 0.284 0 CA-C-O 120.697 0.284 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.03 -36.9 80.75 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.446 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp -61.17 -42.58 98.81 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.946 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.41 -42.08 88.33 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.049 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.0 m -61.94 -43.33 99.07 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.096 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.26 -40.74 81.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.552 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.551 ' CG ' HG23 ' B' ' 82' ' ' THR . 63.1 ttp -61.99 -42.02 98.67 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.64 -31.29 68.0 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 120.978 0.418 . . . . 0.0 110.217 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.0 m -56.16 -35.54 67.3 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.36 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.1 mt -59.21 -42.67 91.53 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.242 -0.983 . . . . 0.0 110.826 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.417 HD12 ' CE ' ' B' ' 85' ' ' MET . 73.8 mt -65.66 -41.51 90.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.961 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -60.13 -41.23 92.22 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.433 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -74.72 -39.06 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 120.194 -0.603 . . . . 0.0 111.101 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.541 ' CE1' HD22 ' A' ' 28' ' ' LEU . 70.1 t80 -63.8 -50.83 67.42 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.568 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -64.31 -47.32 79.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.172 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.48 85.92 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 120.211 -0.595 . . . . 0.0 111.5 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.573 ' CG ' HD13 ' A' ' 36' ' ' LEU . 86.5 t60 -63.81 -48.19 77.82 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.497 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.8 t -61.07 -40.35 93.33 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.35 -39.2 97.52 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.669 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.73 -41.28 90.55 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.563 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -126.65 153.41 45.4 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.839 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.54 -162.64 33.26 Favored Glycine 0 C--N 1.332 0.321 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -71.66 136.31 47.25 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -61.1 -38.86 87.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.078 0.466 . . . . 0.0 110.841 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -67.57 -32.61 73.48 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -117.71 148.64 41.81 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.83 HD12 ' OE1' ' A' ' 32' ' ' GLU . 14.8 tp -104.79 130.82 52.81 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.706 -1.134 . . . . 0.0 108.868 178.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.9 t -103.09 149.72 24.32 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.315 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -55.62 -36.76 67.33 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.145 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -55.58 -40.72 72.36 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.83 ' OE1' HD12 ' A' ' 28' ' ' LEU . 97.3 mt-10 -66.55 -38.84 87.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.708 HD11 HD22 ' A' ' 77' ' ' LEU . 8.8 tt -64.6 -46.64 81.8 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -59.94 -47.09 87.2 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 119.299 -0.96 . . . . 0.0 111.524 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.6 -42.28 87.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.177 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.573 HD13 ' CG ' ' A' ' 18' ' ' HIS . 37.5 tp -65.46 -46.12 81.08 Favored 'General case' 0 CA--C 1.523 -0.094 0 C-N-CA 119.97 -0.692 . . . . 0.0 112.233 -178.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.554 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -70.01 -40.95 74.92 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.624 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' NE2' ' CB ' ' A' ' 47' ' ' ALA . 50.0 tt0 -64.12 -45.88 86.63 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 119.653 -0.819 . . . . 0.0 111.476 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.0 m -71.23 -43.63 66.94 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -74.57 -33.17 62.62 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.546 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.4 tp -100.39 142.7 31.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.194 0.521 . . . . 0.0 111.648 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.605 ' O ' ' N ' ' A' ' 44' ' ' PHE . 87.0 p -53.29 -23.91 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.567 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -45.43 -10.53 0.02 OUTLIER Glycine 0 CA--C 1.523 0.583 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 178.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.605 ' N ' ' O ' ' A' ' 42' ' ' SER . 55.3 t80 -46.48 -39.1 10.15 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.548 ' H ' HD12 ' A' ' 45' ' ' LEU . 6.8 mp -60.8 -31.52 70.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.281 178.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.567 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 33.1 p30 -81.49 12.25 3.89 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.045 0.45 . . . . 0.0 110.426 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -57.51 -23.04 47.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.509 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.642 ' O ' HG12 ' A' ' 51' ' ' VAL . 93.8 mt-30 -55.37 -151.9 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -56.06 -28.13 56.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.013 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.97 -34.84 63.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.038 0.446 . . . . 0.0 110.063 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 48' ' ' GLN . 5.9 p -52.96 -26.43 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.108 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -53.72 -35.29 61.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.864 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.01 -28.34 62.38 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.013 0.435 . . . . 0.0 110.156 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.657 ' O ' HG12 ' A' ' 57' ' ' VAL . 4.4 p -52.89 -37.29 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -68.04 -39.42 83.08 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -65.89 -42.04 90.76 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.492 0.663 . . . . 0.0 111.865 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.657 HG12 ' O ' ' A' ' 54' ' ' VAL . 9.9 p -61.99 -32.25 53.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.905 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.5 mmm -56.79 -36.13 69.51 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -58.21 -43.34 87.63 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.907 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.2 -38.12 84.82 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.36 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.624 ' CD1' HD13 ' A' ' 77' ' ' LEU . 81.5 mt -66.26 -37.03 84.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.049 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.479 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 98.5 m-20 -103.74 70.21 1.01 Allowed 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.96 -29.34 70.18 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -53.86 -36.73 62.93 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 114.072 -1.422 . . . . 0.0 109.916 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.03 1.03 73.39 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 108.417 -1.873 . . . . 0.0 108.417 -178.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.69 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.1 p30 -62.86 -35.62 80.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.413 -0.894 . . . . 0.0 112.769 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.69 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 84.63 5.79 86.3 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.479 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 95.8 mt-10 -112.57 156.42 22.69 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.089 -0.555 . . . . 0.0 109.904 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.0 t -107.68 132.95 53.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.503 0.668 . . . . 0.0 111.606 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -102.65 158.57 16.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.292 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -52.79 -41.63 64.29 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.122 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.438 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.5 tt0 -57.92 -40.84 81.39 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.232 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.474 ' OE1' ' OD1' ' A' ' 62' ' ' ASP . 94.3 mt-10 -67.46 -37.78 83.45 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.443 0.64 . . . . 0.0 110.313 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -63.53 -46.0 88.03 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 72' ' ' GLN . 2.8 p -60.36 -39.58 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.138 0 C-N-CA 119.796 -0.762 . . . . 0.0 110.634 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.7 m -74.63 -32.97 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.485 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.708 HD22 HD11 ' A' ' 33' ' ' LEU . 12.9 tp -56.99 -45.36 83.01 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.248 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.408 ' H ' HG22 ' A' ' 78' ' ' VAL . 27.8 m -72.54 -35.14 50.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.203 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.432 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -62.51 -38.98 92.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.276 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.94 87.69 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.676 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.58 -36.31 83.83 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.706 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.546 HG23 ' CG ' ' B' ' 8' ' ' MET . 57.0 m -52.97 -37.71 61.43 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.737 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.02 -35.59 62.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.432 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.75 94.31 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.393 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.423 ' CE ' HD12 ' B' ' 12' ' ' ILE . 47.3 ttp -57.98 -38.33 75.86 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.06 -40.13 84.22 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -59.71 -43.71 94.01 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.443 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -65.59 -34.95 79.43 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.119 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -54.03 -39.2 65.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.868 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -54.12 -34.42 60.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.203 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.03 -33.66 67.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.487 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -104.75 136.98 43.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.523 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.531 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -69.73 162.24 28.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.434 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.03 -36.94 80.86 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.393 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.17 -42.56 98.79 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.004 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.43 -41.95 88.43 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.081 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.5 m -62.09 -43.3 99.14 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.01 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.75 81.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.578 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.546 ' CG ' HG23 ' A' ' 82' ' ' THR . 63.1 ttp -61.92 -42.04 98.64 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -178.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.59 -31.35 67.96 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 120.98 0.419 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.6 m -56.09 -35.47 67.05 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.412 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.3 mt -59.36 -42.62 92.0 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.233 -0.987 . . . . 0.0 110.766 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.423 HD12 ' CE ' ' A' ' 85' ' ' MET . 73.8 mt -65.73 -41.42 90.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.962 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -60.1 -41.27 92.19 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.453 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.85 -39.03 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.999 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.545 ' CE1' HD22 ' B' ' 28' ' ' LEU . 69.9 t80 -63.65 -50.97 67.2 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.538 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -64.33 -47.27 80.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.106 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.36 86.01 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.551 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.564 ' CG ' HD13 ' B' ' 36' ' ' LEU . 86.5 t60 -63.82 -48.23 77.64 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.447 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.6 t -61.03 -40.38 93.38 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.901 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.36 -39.13 97.43 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.714 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.8 -41.22 90.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.563 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -126.71 153.49 45.39 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.852 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.43 -162.64 32.86 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.69 136.38 47.23 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -61.06 -38.86 87.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.178 0.514 . . . . 0.0 110.975 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -67.46 -32.68 73.7 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -117.75 148.53 41.95 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.838 HD12 ' OE1' ' B' ' 32' ' ' GLU . 14.8 tp -104.71 130.83 52.7 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.93 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.0 t -103.14 149.74 24.33 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.794 0.33 . . . . 0.0 110.34 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -55.56 -36.8 67.21 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 119.04 -1.064 . . . . 0.0 110.192 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -55.45 -40.72 71.93 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 119.105 -1.038 . . . . 0.0 108.284 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.838 ' OE1' HD12 ' B' ' 28' ' ' LEU . 97.3 mt-10 -66.53 -38.91 88.2 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 177.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.686 HD11 HD22 ' B' ' 77' ' ' LEU . 8.8 tt -64.53 -46.61 82.14 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -59.98 -47.01 87.56 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 119.266 -0.974 . . . . 0.0 111.603 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.7 -42.21 86.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.174 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.564 HD13 ' CG ' ' B' ' 18' ' ' HIS . 37.3 tp -65.37 -46.21 81.07 Favored 'General case' 0 CA--C 1.522 -0.121 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.268 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -70.01 -40.95 74.95 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.059 -0.657 . . . . 0.0 111.664 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.504 ' NE2' ' CB ' ' B' ' 47' ' ' ALA . 50.1 tt0 -64.1 -45.86 86.75 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.485 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.8 m -71.18 -43.67 67.0 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -74.55 -33.17 62.65 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.539 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.4 tp -100.4 142.8 31.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.302 0.572 . . . . 0.0 111.581 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.594 ' O ' ' N ' ' B' ' 44' ' ' PHE . 86.9 p -53.33 -23.97 10.68 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.582 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -45.36 -10.61 0.02 OUTLIER Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.594 ' N ' ' O ' ' B' ' 42' ' ' SER . 55.3 t80 -46.52 -39.04 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.54 ' H ' HD12 ' B' ' 45' ' ' LEU . 6.8 mp -60.84 -31.45 70.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.309 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.582 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 33.2 p30 -81.51 12.19 3.96 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.009 0.433 . . . . 0.0 110.393 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.504 ' CB ' ' NE2' ' B' ' 38' ' ' GLN . . . -57.51 -22.96 47.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.504 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.644 ' O ' HG12 ' B' ' 51' ' ' VAL . 93.8 mt-30 -55.38 -151.81 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.634 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -56.16 -28.17 57.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.967 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.01 -34.69 63.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.973 0.416 . . . . 0.0 110.103 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.644 HG12 ' O ' ' B' ' 48' ' ' GLN . 5.9 p -53.07 -26.35 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.107 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -53.67 -35.34 60.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.601 0.239 . . . . 0.0 110.807 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.14 -28.22 62.54 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 120.936 0.398 . . . . 0.0 110.13 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.658 ' O ' HG12 ' B' ' 57' ' ' VAL . 4.4 p -52.87 -37.37 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.402 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 87.6 m-20 -67.96 -39.47 83.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -65.97 -42.03 90.4 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.434 0.635 . . . . 0.0 111.82 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.658 HG12 ' O ' ' B' ' 54' ' ' VAL . 9.9 p -61.93 -32.21 53.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.924 -178.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 95.4 mmm -56.94 -36.02 69.76 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -58.22 -43.3 87.65 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.902 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.25 -38.14 84.65 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.489 -0.485 . . . . 0.0 111.361 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.617 ' CD1' HD13 ' B' ' 77' ' ' LEU . 81.5 mt -66.29 -36.94 84.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.058 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 98.5 m-20 -103.76 70.26 1.01 Allowed 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.1 -29.3 70.22 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -53.79 -36.81 62.84 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 114.041 -1.436 . . . . 0.0 109.955 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.09 1.09 73.14 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.687 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.2 p30 -62.93 -35.58 80.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.417 -0.892 . . . . 0.0 112.774 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.687 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 84.68 5.67 86.35 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 -178.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.493 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 95.8 mt-10 -112.57 156.38 22.76 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.07 -0.565 . . . . 0.0 109.927 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.0 t -107.72 133.02 53.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.548 0.69 . . . . 0.0 111.541 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -102.69 158.63 16.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.682 -1.145 . . . . 0.0 109.328 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -52.77 -41.67 64.28 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.074 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.426 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.5 tt0 -57.92 -40.84 81.39 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.277 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.469 ' OE1' ' OD1' ' B' ' 62' ' ' ASP . 94.3 mt-10 -67.41 -37.79 83.61 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.486 0.66 . . . . 0.0 110.375 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -63.47 -45.94 88.47 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.432 HG13 ' HB1' ' A' ' 79' ' ' ALA . 2.7 p -60.43 -39.62 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 119.814 -0.755 . . . . 0.0 110.621 -178.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.435 HG22 ' O ' ' B' ' 73' ' ' GLU . 32.7 m -74.61 -32.94 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.543 178.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.686 HD22 HD11 ' B' ' 33' ' ' LEU . 13.0 tp -56.96 -45.44 82.84 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.279 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.45 -35.11 50.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.268 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.418 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -62.55 -39.02 92.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.307 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.61 -44.04 87.76 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.658 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.9 mt -64.42 -36.4 84.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.733 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.551 HG23 ' CG ' ' A' ' 8' ' ' MET . 57.1 m -52.92 -37.81 61.19 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.765 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.02 -35.59 62.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.411 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.85 94.36 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.369 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.417 ' CE ' HD12 ' A' ' 12' ' ' ILE . 47.3 ttp -58.01 -38.26 75.82 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.11 -40.11 84.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -59.78 -43.67 94.26 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.457 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -65.59 -34.95 79.43 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.136 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -54.02 -39.24 65.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.853 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -54.04 -34.46 60.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.23 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.03 -33.55 67.31 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.523 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -104.85 136.95 43.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.453 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 17.4 p . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.602 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.54 -42.62 99.1 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.264 -0.575 . . . . 0.0 110.558 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.46 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 38.7 tp -64.07 -39.85 94.98 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.99 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.509 ' OE2' ' O ' ' B' ' 40' ' ' GLU . 97.6 mt-10 -63.75 -39.37 94.12 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.036 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.2 m -64.76 -42.59 95.02 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.603 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.38 87.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.61 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.527 ' CG ' HG23 ' B' ' 82' ' ' THR . 65.3 ttp -62.04 -41.11 97.77 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 120.547 -0.461 . . . . 0.0 112.054 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.77 -29.78 67.04 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.971 0.415 . . . . 0.0 109.998 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.3 m -54.59 -35.86 63.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.378 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.409 ' CD2' HD11 ' B' ' 4' ' ' LEU . 58.2 mt -59.08 -40.66 85.91 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 118.816 -1.154 . . . . 0.0 110.198 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.54 ' CG2' ' CE1' ' A' ' 16' ' ' HIS . 77.6 mt -63.87 -47.32 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.51 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.46 -41.68 97.6 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.542 -0.463 . . . . 0.0 112.219 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.439 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 19.8 m -71.93 -38.23 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.005 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -60.32 -47.49 85.79 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.836 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.54 ' CE1' ' CG2' ' A' ' 12' ' ' ILE . 57.5 m170 -61.76 -46.86 87.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.549 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.29 -47.67 75.82 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.159 -0.616 . . . . 0.0 112.022 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.439 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 89.9 m-70 -62.57 -47.52 83.49 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.696 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 22' ' ' GLU . 85.9 p -65.19 -35.65 81.75 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.263 -0.575 . . . . 0.0 111.202 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.02 -38.41 95.99 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.901 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.48 -41.04 88.88 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.4 mt-10 -124.1 152.59 42.56 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.963 0.411 . . . . 0.0 111.423 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.29 -163.37 0.14 Allowed Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.6 136.95 47.62 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.378 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HZ1' ' HB3' ' A' ' 16' ' ' HIS . 41.6 tttp -59.65 -37.84 79.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.475 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -65.12 -27.46 68.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.365 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -112.9 143.35 44.33 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.737 0.779 . . . . 0.0 112.257 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -103.95 124.4 48.92 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 114.535 -1.211 . . . . 0.0 107.907 179.232 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.703 ' N ' HD13 ' A' ' 28' ' ' LEU . 86.4 p -104.64 154.57 19.79 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.903 0.383 . . . . 0.0 110.575 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -57.41 -37.6 73.0 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.51 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -55.92 -41.29 74.34 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 118.685 -1.206 . . . . 0.0 108.523 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 98.6 mt-10 -66.52 -38.44 87.21 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 120.126 -0.629 . . . . 0.0 109.716 177.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.491 ' CD2' ' SD ' ' A' ' 58' ' ' MET . 23.5 tp -65.44 -49.17 70.16 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -60.75 -46.81 89.02 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.279 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.88 -38.47 86.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.638 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.52 HD21 ' OE1' ' A' ' 40' ' ' GLU . 9.9 tt -64.78 -44.23 90.69 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.382 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.454 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -69.02 -43.4 74.85 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.954 179.12 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -63.32 -45.44 91.28 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.673 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.9 m -70.34 -42.38 71.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE1' HD21 ' A' ' 36' ' ' LEU . 98.3 mt-10 -74.74 -33.64 62.38 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 41' ' ' LEU . 62.5 mt -97.52 147.11 24.6 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -177.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 44' ' ' PHE . 25.0 m -54.91 -29.56 56.37 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 113.52 -1.673 . . . . 0.0 109.131 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 47' ' ' ALA . . . -45.15 -11.29 0.02 OUTLIER Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.588 ' N ' ' O ' ' A' ' 42' ' ' SER . 53.9 t80 -50.09 -42.81 50.9 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.185 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.2 tp -61.11 -40.6 94.36 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -102.17 8.4 40.63 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' A' ' 43' ' ' GLY . . . -60.66 -30.79 70.11 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.69 ' O ' HG12 ' A' ' 51' ' ' VAL . 92.9 mt-30 -31.21 -101.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 55.6 pttt -58.36 -34.74 71.0 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.303 0.573 . . . . 0.0 110.648 -178.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.07 -32.49 54.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.968 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.728 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.4 p -52.49 -34.62 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.886 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 52.9 p30 -59.54 -33.85 71.91 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.074 -0.651 . . . . 0.0 110.836 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.662 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -58.03 -27.47 63.6 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.668 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.728 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.3 p -54.18 -36.85 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.551 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -65.53 -42.73 91.66 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.793 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.47 -40.4 97.01 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.463 ' O ' HD13 ' A' ' 61' ' ' LEU . 11.8 m -72.4 -32.82 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -177.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.491 ' SD ' ' CD2' ' A' ' 33' ' ' LEU . 92.3 mmm -57.54 -38.29 74.48 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.101 -0.64 . . . . 0.0 112.335 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.33 -46.05 91.87 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.001 -0.68 . . . . 0.0 112.044 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -70.08 -42.26 72.99 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 57' ' ' VAL . 7.0 mp -69.1 -36.83 78.0 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.556 ' OD1' ' OD1' ' A' ' 64' ' ' ASN . 53.2 t0 -85.36 109.49 18.44 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.944 -178.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.71 -37.6 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.619 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.556 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 38.3 p-10 -91.07 7.55 39.9 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' ASN . . . 36.84 26.64 0.01 OUTLIER Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.639 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 55.7 p30 -61.4 -32.2 72.13 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.639 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.56 -5.02 60.13 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 96.5 mt-10 -112.69 151.56 30.06 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.482 HG21 HD22 ' A' ' 33' ' ' LEU . 41.5 t -110.19 133.5 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.475 0.655 . . . . 0.0 110.8 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 56.9 t0 -98.76 152.93 19.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.977 -1.011 . . . . 0.0 108.801 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.447 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 76.3 t80 -50.98 -40.78 58.72 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.271 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.443 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.5 tt0 -58.46 -41.03 84.28 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.941 -0.704 . . . . 0.0 110.14 178.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.425 ' O ' HG22 ' A' ' 76' ' ' VAL . 96.6 mt-10 -68.27 -39.36 82.19 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.484 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.37 -45.33 91.66 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.476 HG13 ' HB1' ' B' ' 79' ' ' ALA . 3.8 p -60.04 -39.05 79.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.784 -178.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.7 m -76.61 -32.89 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.797 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.402 ' C ' HD23 ' A' ' 77' ' ' LEU . 9.6 tt -61.32 -41.32 96.82 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.366 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 m -72.28 -32.31 42.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.481 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -61.75 -36.8 82.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.602 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.8 85.46 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.968 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.3 mp -66.53 -35.43 80.22 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.715 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.528 HG23 ' CG ' ' B' ' 8' ' ' MET . 55.0 m -53.04 -36.17 60.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.304 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.401 ' C ' HD22 ' A' ' 86' ' ' ASN . 77.3 t -57.46 -36.89 54.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.085 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.25 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.075 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -56.04 -38.97 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.004 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.43 ' ND2' ' H ' ' A' ' 86' ' ' ASN . 15.5 m-80 -60.38 -42.71 96.42 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -63.45 -41.73 98.65 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.756 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -66.09 -35.47 80.61 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.596 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -53.51 -38.85 64.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.957 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.07 -35.11 61.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.439 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.51 -32.69 72.74 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.479 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -100.33 120.22 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.7 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.587 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.314 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -57.25 -36.97 71.63 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.211 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.63 -42.6 99.12 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.472 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.47 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 38.7 tp -64.12 -39.75 94.71 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 120.334 -0.547 . . . . 0.0 109.978 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.496 ' OE2' ' O ' ' A' ' 40' ' ' GLU . 97.6 mt-10 -63.83 -39.33 93.96 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.011 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.7 m -64.8 -42.54 94.95 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.641 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.94 -41.33 87.17 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.661 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.528 ' CG ' HG23 ' A' ' 82' ' ' THR . 65.3 ttp -62.11 -41.1 97.88 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.616 -0.433 . . . . 0.0 112.014 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.79 -29.77 67.07 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.016 0.436 . . . . 0.0 110.041 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -54.56 -35.83 63.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.477 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.413 ' CD2' HD11 ' A' ' 4' ' ' LEU . 57.9 mt -59.12 -40.57 85.82 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.233 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.536 ' CG2' ' CE1' ' B' ' 16' ' ' HIS . 77.6 mt -63.89 -47.43 90.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.499 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.43 -41.59 97.42 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.486 -0.486 . . . . 0.0 112.256 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.445 ' O ' ' CD2' ' B' ' 18' ' ' HIS . 19.8 m -71.91 -38.26 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 119.833 -0.747 . . . . 0.0 110.014 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.31 -47.48 85.86 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.859 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.536 ' CE1' ' CG2' ' B' ' 12' ' ' ILE . 57.8 m170 -61.77 -46.88 87.67 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.539 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.24 -47.67 75.96 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.096 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' B' ' 14' ' ' VAL . 89.9 m-70 -62.55 -47.61 83.11 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.65 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.422 ' O ' ' O ' ' B' ' 22' ' ' GLU . 85.9 p -65.16 -35.62 81.67 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.236 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.07 -38.24 95.71 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.975 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.59 -41.05 89.4 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.431 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.3 mt-10 -124.16 152.51 42.74 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.063 0.459 . . . . 0.0 111.416 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.27 -163.39 0.13 Allowed Glycine 0 CA--C 1.519 0.339 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.51 136.97 47.79 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.421 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.463 ' HZ1' ' HB3' ' B' ' 16' ' ' HIS . 41.6 tttp -59.61 -37.83 79.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.293 0.568 . . . . 0.0 110.55 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -65.11 -27.46 68.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.343 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -112.96 143.37 44.36 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.684 0.754 . . . . 0.0 112.234 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.689 HD13 ' N ' ' B' ' 29' ' ' SER . 1.0 OUTLIER -103.96 124.39 48.91 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 114.51 -1.223 . . . . 0.0 107.876 179.228 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.689 ' N ' HD13 ' B' ' 28' ' ' LEU . 86.1 p -104.57 154.55 19.79 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.959 0.409 . . . . 0.0 110.601 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -57.4 -37.65 73.05 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.486 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -55.82 -41.43 74.21 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 118.695 -1.202 . . . . 0.0 108.512 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 98.6 mt-10 -66.44 -38.43 87.39 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.717 177.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.49 ' CD2' ' SD ' ' B' ' 58' ' ' MET . 23.7 tp -65.48 -49.11 70.28 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -60.8 -46.81 89.06 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.263 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.85 -38.45 86.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.669 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.534 HD21 ' OE1' ' B' ' 40' ' ' GLU . 9.8 tt -64.75 -44.2 90.86 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.437 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.438 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -69.11 -43.42 74.51 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.863 179.174 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -63.33 -45.4 91.44 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.705 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.2 m -70.44 -42.37 71.62 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.534 ' OE1' HD21 ' B' ' 36' ' ' LEU . 98.3 mt-10 -74.67 -33.76 62.55 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' B' ' 41' ' ' LEU . 62.4 mt -97.57 147.09 24.64 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -177.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.601 ' O ' ' N ' ' B' ' 44' ' ' PHE . 24.9 m -54.78 -29.7 54.84 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 113.448 -1.706 . . . . 0.0 109.095 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.615 ' O ' ' N ' ' B' ' 47' ' ' ALA . . . -45.14 -11.18 0.02 OUTLIER Glycine 0 CA--C 1.522 0.52 0 N-CA-C 109.974 -1.25 . . . . 0.0 109.974 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.601 ' N ' ' O ' ' B' ' 42' ' ' SER . 53.7 t80 -50.13 -42.9 51.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.01 -40.66 94.41 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.215 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -102.17 8.41 40.64 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.244 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.615 ' N ' ' O ' ' B' ' 43' ' ' GLY . . . -60.6 -30.84 70.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -177.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.713 ' O ' HG12 ' B' ' 51' ' ' VAL . 92.9 mt-30 -31.05 -101.79 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 55.6 pttt -58.33 -34.78 71.0 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.334 0.588 . . . . 0.0 110.66 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.06 -32.47 54.7 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.975 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.72 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.4 p -52.48 -34.74 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.812 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.661 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 52.8 p30 -59.52 -33.84 71.88 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.804 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.661 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -58.04 -27.5 63.63 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.72 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.2 p -54.09 -36.88 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.549 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -65.61 -42.69 91.29 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 119.584 -0.846 . . . . 0.0 110.764 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.53 -40.36 96.81 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.471 ' O ' HD13 ' B' ' 61' ' ' LEU . 12.0 m -72.42 -32.71 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.49 ' SD ' ' CD2' ' B' ' 33' ' ' LEU . 92.4 mmm -57.53 -38.39 74.61 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.328 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.33 -46.01 92.05 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.946 -0.702 . . . . 0.0 112.076 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -70.1 -42.3 72.88 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.471 HD13 ' O ' ' B' ' 57' ' ' VAL . 7.0 mp -68.96 -36.9 78.44 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.553 ' OD1' ' OD1' ' B' ' 64' ' ' ASN . 53.2 t0 -85.29 109.41 18.34 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.384 -0.926 . . . . 0.0 110.954 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.81 -37.43 86.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.638 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.555 ' O ' ' N ' ' B' ' 66' ' ' ASP . 38.4 p-10 -91.13 7.54 40.06 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' B' ' 64' ' ' ASN . . . 36.88 26.58 0.01 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.643 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 55.3 p30 -61.43 -32.18 72.14 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.643 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.62 -5.0 60.0 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -178.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 96.5 mt-10 -112.77 151.56 30.18 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.482 HG21 HD22 ' B' ' 33' ' ' LEU . 41.9 t -110.18 133.51 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.431 0.634 . . . . 0.0 110.766 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 56.8 t0 -98.77 152.87 19.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.827 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.449 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 76.8 t80 -50.95 -40.8 58.31 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.439 -0.904 . . . . 0.0 109.246 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.432 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.5 tt0 -58.43 -41.09 84.29 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.09 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.423 ' O ' HG22 ' B' ' 76' ' ' VAL . 96.6 mt-10 -68.19 -39.46 82.5 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.47 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.41 -45.2 92.09 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.481 HG13 ' HB1' ' A' ' 79' ' ' ALA . 3.7 p -60.08 -39.1 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.779 -178.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 73' ' ' GLU . 32.7 m -76.5 -32.98 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.35 -0.54 . . . . 0.0 109.808 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.404 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.6 tt -61.28 -41.29 96.7 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.485 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 m -72.21 -32.37 42.77 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 C-N-CA 120.214 -0.595 . . . . 0.0 111.095 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.476 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -61.82 -36.71 81.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.561 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.71 -45.75 85.22 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.895 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.498 HD12 ' H ' ' B' ' 81' ' ' LEU . 6.3 mp -66.47 -35.54 80.53 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.666 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.527 HG23 ' CG ' ' A' ' 8' ' ' MET . 55.0 m -53.03 -36.07 60.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.387 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.0 t -57.42 -36.96 55.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.171 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.32 73.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -55.93 -39.01 71.06 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.964 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.437 ' H ' ' ND2' ' B' ' 86' ' ' ASN . 15.1 m-80 -60.32 -42.67 96.09 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.914 -0.714 . . . . 0.0 109.1 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -63.57 -41.61 98.38 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.771 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -66.11 -35.52 80.71 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.599 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -53.47 -38.8 63.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.05 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.11 -35.08 61.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.505 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.48 -32.7 72.72 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.482 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.31 120.18 39.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.555 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 34.8 t . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.528 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 40' ' ' GLU . 39.5 t . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.661 0.267 . . . . 0.0 110.673 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.86 -38.12 89.58 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.196 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.54 -41.85 97.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.784 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.93 -41.49 91.29 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.775 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -61.67 -43.5 98.75 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.79 -40.06 83.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.241 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.628 ' CG ' HG23 ' B' ' 82' ' ' THR . 64.9 ttp -62.03 -43.38 98.96 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.59 -31.05 67.69 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 120.964 0.411 . . . . 0.0 110.138 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -55.79 -36.46 67.42 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.401 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.3 -41.85 97.67 Favored 'General case' 0 C--N 1.343 0.326 0 C-N-CA 118.813 -1.155 . . . . 0.0 110.547 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.494 HD12 ' CE ' ' B' ' 85' ' ' MET . 76.6 mt -65.89 -43.59 92.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.147 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -61.03 -41.5 96.69 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.199 -0.601 . . . . 0.0 111.979 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 m -74.77 -39.05 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.965 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -64.18 -51.25 64.7 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.41 0.624 . . . . 0.0 110.528 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.475 ' NE2' ' CE ' ' A' ' 25' ' ' LYS . 81.7 t60 -64.03 -47.52 79.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.642 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.2 95.43 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.14 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.592 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 83.7 t60 -62.76 -46.27 88.81 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.701 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.489 ' O ' ' O ' ' A' ' 22' ' ' GLU . 23.0 t -60.32 -41.11 92.81 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.337 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.32 -39.79 98.22 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.734 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.1 -42.21 94.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.519 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -129.07 149.65 50.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.833 0.349 . . . . 0.0 111.634 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.54 -158.1 32.51 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.469 ' O ' ' O ' ' A' ' 27' ' ' LYS . 88.6 m-20 -74.29 133.8 42.6 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' CE ' ' NE2' ' A' ' 16' ' ' HIS . 27.1 tttt -60.94 -40.48 93.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.23 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -66.24 -32.89 74.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.442 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' A' ' 24' ' ' ASP . 97.9 mttt -120.52 145.64 47.1 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -108.73 133.46 52.78 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.113 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -103.15 152.35 21.54 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' NZ ' ' CG ' ' A' ' 58' ' ' MET . 46.8 tttp -56.1 -37.24 69.11 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 118.938 -1.105 . . . . 0.0 110.529 -178.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.37 -40.89 71.88 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 118.863 -1.135 . . . . 0.0 108.09 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.592 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 96.3 mt-10 -67.66 -39.05 84.56 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.81 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.3 tp -64.58 -45.07 88.58 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -59.68 -47.21 86.54 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 119.629 -0.828 . . . . 0.0 111.341 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -65.14 -41.37 94.84 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.418 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.429 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 24.9 tp -62.17 -55.62 26.86 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.0 tp -69.13 -41.73 76.95 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.743 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.504 ' NE2' ' CG2' ' A' ' 51' ' ' VAL . 94.0 mt-30 -64.33 -41.52 96.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.998 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.3 m -69.25 -43.66 73.52 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' B' ' 2' ' ' SER . 76.9 mm-40 -75.33 -32.24 60.86 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.591 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.3 tp -100.85 138.06 38.41 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.578 0.704 . . . . 0.0 112.393 -177.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.604 ' O ' ' N ' ' A' ' 44' ' ' PHE . 25.7 m -51.28 -27.99 10.79 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.283 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.591 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -43.91 -10.86 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.604 ' N ' ' O ' ' A' ' 42' ' ' SER . 66.6 t80 -47.33 -35.55 8.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.9 tp -53.77 -34.9 60.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.605 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.52 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 43.1 p30 -79.26 11.19 3.02 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.96 0.409 . . . . 0.0 110.244 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -58.68 -23.45 59.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.524 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.669 ' O ' HG12 ' A' ' 51' ' ' VAL . 93.7 mt-30 -54.35 -155.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.812 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -56.67 -28.52 60.87 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.92 -33.99 62.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.198 0.523 . . . . 0.0 109.782 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 48' ' ' GLN . 5.9 p -52.47 -28.64 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.352 -179.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -53.4 -35.21 60.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.836 0.35 . . . . 0.0 110.692 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.69 -27.95 59.9 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.062 0.458 . . . . 0.0 110.232 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.9 p -52.41 -37.9 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -65.62 -41.45 92.69 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.571 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -62.56 -39.67 94.39 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 54' ' ' VAL . 16.3 m -71.03 -30.45 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 120.184 -0.606 . . . . 0.0 112.572 -178.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.476 ' CG ' ' NZ ' ' A' ' 30' ' ' LYS . 95.1 mmm -56.43 -38.07 71.07 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.83 -43.27 98.48 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.664 -0.814 . . . . 0.0 111.543 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.06 -41.25 74.43 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.497 -0.481 . . . . 0.0 112.141 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.26 -36.55 81.81 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.512 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 50.3 t0 -84.61 103.84 14.08 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.819 -0.752 . . . . 0.0 111.194 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.69 -37.41 84.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.499 0.666 . . . . 0.0 109.629 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -58.75 -37.76 76.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.9 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.25 5.15 87.35 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 107.819 -2.112 . . . . 0.0 107.819 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.642 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 49.2 p30 -63.85 -32.94 74.63 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 114.127 -1.036 . . . . 0.0 112.502 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.642 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.88 -2.01 61.64 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 68' ' ' GLU . 59.0 mp0 -109.55 154.36 22.83 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -106.29 132.92 52.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.689 0.757 . . . . 0.0 112.164 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -102.24 160.64 14.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.299 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -52.39 -43.29 64.67 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.085 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.81 -41.48 91.34 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.221 -0.591 . . . . 0.0 110.385 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.12 -37.58 86.07 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.124 0.488 . . . . 0.0 110.547 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.423 ' O ' HG13 ' A' ' 78' ' ' VAL . 79.1 t80 -63.27 -42.88 99.16 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 121.524 0.678 . . . . 0.0 111.394 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.736 ' CG1' ' HB1' ' B' ' 79' ' ' ALA . 0.9 OUTLIER -62.12 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.328 -179.053 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.9 m -72.09 -33.11 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.795 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.461 ' C ' HD23 ' A' ' 77' ' ' LEU . 10.1 tt -61.19 -42.72 99.09 Favored 'General case' 0 CA--C 1.527 0.078 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.458 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 74' ' ' TYR . 22.9 m -72.41 -31.14 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.373 0.606 . . . . 0.0 111.355 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.734 ' HB1' ' CG1' ' B' ' 75' ' ' VAL . . . -59.24 -40.59 86.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.217 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.41 96.65 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.669 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.505 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.4 mp -65.4 -36.55 84.3 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.382 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.626 HG23 ' CG ' ' B' ' 8' ' ' MET . 44.2 m -53.11 -37.59 61.88 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.38 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.53 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 75.0 t -59.9 -36.24 65.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.603 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.83 72.94 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.494 ' HE1' HD12 ' B' ' 12' ' ' ILE . 2.6 ttp -56.82 -38.22 72.3 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 119.468 -0.893 . . . . 0.0 110.566 -178.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.69 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 31.4 p-10 -63.61 -40.04 95.9 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 118.975 -1.09 . . . . 0.0 110.252 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.69 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 20.6 t-20 -62.86 -45.5 92.29 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.021 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.95 -48.99 66.87 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.824 0.821 . . . . 0.0 110.846 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -55.69 -38.51 69.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.027 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -53.86 -33.67 57.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.708 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.21 -33.42 67.49 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.449 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -100.44 120.35 39.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.504 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.534 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 39.2 t -107.49 138.21 44.11 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.711 0.291 . . . . 0.0 110.698 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.97 -38.06 89.6 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.167 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.57 -41.81 97.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.709 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.94 -41.61 91.09 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.743 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -61.64 -43.4 98.94 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.88 -40.06 83.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.227 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.626 ' CG ' HG23 ' A' ' 82' ' ' THR . 64.9 ttp -62.0 -43.38 98.96 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.55 -31.05 67.61 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 120.96 0.409 . . . . 0.0 110.178 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 34.8 m -55.9 -36.4 67.64 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.388 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.23 -41.99 97.83 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 118.877 -1.129 . . . . 0.0 110.498 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.494 HD12 ' HE1' ' A' ' 85' ' ' MET . 76.5 mt -65.73 -43.65 93.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.195 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -61.04 -41.6 96.89 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.87 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.7 m -74.78 -39.08 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -64.14 -51.18 65.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.367 0.604 . . . . 0.0 110.56 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.476 ' NE2' ' CE ' ' B' ' 25' ' ' LYS . 81.7 t60 -64.06 -47.51 79.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.615 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.29 -43.22 95.43 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.104 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.588 ' NE2' ' O ' ' B' ' 32' ' ' GLU . 83.8 t60 -62.83 -46.35 88.35 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.634 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.472 ' O ' ' O ' ' B' ' 22' ' ' GLU . 23.0 t -60.25 -41.06 92.38 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.387 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.38 -39.82 98.21 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.714 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.97 -42.26 93.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.523 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -129.11 149.59 50.86 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.642 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.63 -158.06 32.96 Favored Glycine 0 CA--C 1.518 0.276 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 178.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.466 ' O ' ' O ' ' B' ' 27' ' ' LYS . 88.6 m-20 -74.35 133.84 42.52 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.476 ' CE ' ' NE2' ' B' ' 16' ' ' HIS . 27.2 tttt -60.97 -40.47 93.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.172 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -66.14 -33.04 74.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.453 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' B' ' 24' ' ' ASP . 97.8 mttt -120.43 145.68 46.98 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.584 0.707 . . . . 0.0 112.718 -178.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tt -108.73 133.45 52.79 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.137 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -103.21 152.31 21.62 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.475 ' NZ ' ' CG ' ' B' ' 58' ' ' MET . 46.8 tttp -56.17 -37.2 69.24 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 118.916 -1.114 . . . . 0.0 110.423 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.36 -40.92 71.87 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 118.844 -1.143 . . . . 0.0 108.088 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.588 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 96.3 mt-10 -67.53 -39.15 85.07 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.823 177.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 37.4 tp -64.61 -45.0 88.77 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -59.68 -47.3 86.18 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.346 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -65.02 -41.43 95.31 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.441 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.432 ' HB2' ' CD2' ' B' ' 18' ' ' HIS . 25.1 tp -62.12 -55.67 26.48 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.4 HD21 HD22 ' B' ' 81' ' ' LEU . 33.8 tp -69.12 -41.67 77.08 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.788 -177.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.504 ' NE2' ' CG2' ' B' ' 51' ' ' VAL . 94.0 mt-30 -64.3 -41.58 96.79 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.983 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.1 m -69.33 -43.47 73.65 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 2' ' ' SER . 77.0 mm-40 -75.41 -32.21 60.67 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -178.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.595 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.3 tp -100.84 138.12 38.32 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.575 0.703 . . . . 0.0 112.361 -177.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.613 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.4 m -51.31 -28.0 10.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.32 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.595 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -43.85 -10.89 0.01 OUTLIER Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.613 ' N ' ' O ' ' B' ' 42' ' ' SER . 66.5 t80 -47.35 -35.53 8.26 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -53.74 -34.98 60.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.601 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.513 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 42.9 p30 -79.23 11.22 2.98 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.012 0.434 . . . . 0.0 110.279 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -58.66 -23.44 59.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.584 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.672 ' O ' HG12 ' B' ' 51' ' ' VAL . 93.7 mt-30 -54.33 -155.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.791 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -56.73 -28.53 61.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.879 -179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.93 -34.03 62.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.14 0.495 . . . . 0.0 109.751 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.672 HG12 ' O ' ' B' ' 48' ' ' GLN . 5.9 p -52.35 -28.69 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.4 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -53.4 -35.26 60.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.762 0.315 . . . . 0.0 110.682 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.65 -27.92 59.53 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.108 0.48 . . . . 0.0 110.266 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.598 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.0 p -52.51 -37.81 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -65.63 -41.49 92.6 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.529 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -62.47 -39.69 94.25 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 54' ' ' VAL . 16.1 m -71.04 -30.49 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.475 ' CG ' ' NZ ' ' B' ' 30' ' ' LYS . 95.2 mmm -56.33 -38.09 70.85 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.97 -43.17 99.17 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.502 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.99 -41.2 74.7 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.549 -0.46 . . . . 0.0 112.203 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.36 -36.57 81.67 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.518 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 50.2 t0 -84.52 103.8 13.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.802 -0.759 . . . . 0.0 111.247 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.67 -37.44 84.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.443 0.64 . . . . 0.0 109.639 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -58.68 -37.77 76.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.965 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.28 5.18 87.42 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 107.772 -2.131 . . . . 0.0 107.772 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.644 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 49.1 p30 -63.85 -33.0 74.72 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.124 -1.038 . . . . 0.0 112.459 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.644 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.83 -1.95 61.71 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.417 ' N ' ' OE1' ' B' ' 68' ' ' GLU . 59.0 mp0 -109.49 154.42 22.7 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -106.39 132.92 52.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.717 0.77 . . . . 0.0 112.094 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -102.25 160.67 14.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.287 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -52.4 -43.3 64.69 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.045 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.73 -41.58 91.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.36 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -66.12 -37.53 85.95 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.589 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.427 ' O ' HG13 ' B' ' 78' ' ' VAL . 78.8 t80 -63.21 -42.99 99.38 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.423 0.63 . . . . 0.0 111.398 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.734 ' CG1' ' HB1' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -62.12 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.348 -179.02 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 24.4 m -72.05 -33.21 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.817 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.459 HD23 ' C ' ' B' ' 77' ' ' LEU . 10.1 tt -61.14 -42.76 99.13 Favored 'General case' 0 CA--C 1.526 0.04 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.52 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.427 HG13 ' O ' ' B' ' 74' ' ' TYR . 22.7 m -72.36 -31.15 37.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.397 0.618 . . . . 0.0 111.42 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.736 ' HB1' ' CG1' ' A' ' 75' ' ' VAL . . . -59.21 -40.59 86.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.155 -178.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.43 96.47 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.561 -0.855 . . . . 0.0 110.585 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.511 HD12 ' H ' ' B' ' 81' ' ' LEU . 6.4 mp -65.36 -36.59 84.48 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.394 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.628 HG23 ' CG ' ' A' ' 8' ' ' MET . 43.8 m -53.03 -37.65 61.73 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.364 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.528 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 75.5 t -59.93 -36.22 65.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.566 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.9 -31.8 72.94 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.494 ' CE ' HD12 ' A' ' 12' ' ' ILE . 2.6 ttp -56.84 -38.13 72.23 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 119.47 -0.892 . . . . 0.0 110.582 -178.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.688 ' OD1' ' N ' ' B' ' 87' ' ' ASN . 31.6 p-10 -63.72 -39.99 95.67 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.078 -1.049 . . . . 0.0 110.205 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.688 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 20.5 t-20 -62.9 -45.55 91.99 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.96 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -66.81 -49.08 66.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.859 0.838 . . . . 0.0 110.919 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -55.64 -38.45 69.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.121 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -53.86 -33.75 57.32 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.722 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.14 -33.39 67.35 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.426 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -100.58 120.41 40.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.487 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 m . . . . . 0 C--O 1.239 0.507 0 CA-C-O 120.937 0.398 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.95 -35.85 75.84 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.075 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.403 ' CD1' ' CD2' ' B' ' 11' ' ' LEU . 39.5 tp -62.77 -41.78 99.39 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 119.996 -0.681 . . . . 0.0 110.013 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.01 -41.49 98.13 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.6 m -64.38 -38.85 92.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.277 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -63.9 -43.51 95.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.635 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.532 ' HB2' HG23 ' B' ' 82' ' ' THR . 11.6 ptp -62.65 -38.87 91.98 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.393 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -56.93 -32.64 66.17 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.941 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.596 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 64.4 p -63.71 -31.89 73.21 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.504 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.523 HD12 HG21 ' B' ' 82' ' ' THR . 52.3 mt -63.44 -42.33 98.68 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.948 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -64.81 -48.04 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.05 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -60.25 -43.24 96.28 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 10' ' ' THR . 13.7 m -72.39 -37.37 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.78 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -61.85 -53.16 59.67 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.6 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -64.29 -46.45 83.59 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -50.81 63.31 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 119.674 -0.811 . . . . 0.0 112.129 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.682 ' CG ' HD13 ' A' ' 36' ' ' LEU . 74.3 m80 -65.06 -49.24 70.85 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.153 -0.619 . . . . 0.0 112.103 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 22' ' ' GLU . 85.9 p -65.91 -33.76 76.57 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.827 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.09 -38.04 94.87 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.767 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.61 -40.53 83.54 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.57 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.8 mm-40 -124.77 149.36 47.42 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.947 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.78 -167.77 44.72 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.2 138.72 45.81 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -60.44 -38.38 83.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.151 0.501 . . . . 0.0 110.524 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -66.84 -32.44 73.71 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -117.21 145.99 43.54 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -106.04 129.62 54.12 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.8 m -104.59 157.04 17.44 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.167 0.508 . . . . 0.0 111.985 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HZ1' HG13 ' A' ' 54' ' ' VAL . 7.5 tptp -54.55 -41.8 70.22 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.598 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.86 -40.87 90.08 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.198 -1.001 . . . . 0.0 109.705 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.57 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.5 mt-10 -64.84 -39.15 93.11 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.229 0.538 . . . . 0.0 109.947 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' CD2' ' SD ' ' A' ' 58' ' ' MET . 24.1 tp -63.47 -42.77 98.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.741 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -61.13 -45.41 94.8 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.143 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.86 -41.64 86.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.945 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.682 HD13 ' CG ' ' A' ' 18' ' ' HIS . 52.3 tp -65.86 -49.1 69.33 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 119.956 -0.698 . . . . 0.0 112.425 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.564 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 2.5 mm? -69.95 -41.08 75.03 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 119.714 -0.794 . . . . 0.0 112.018 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.51 HE21 ' HA ' ' A' ' 44' ' ' PHE . 44.3 tp60 -63.64 -43.15 97.62 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.749 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.72 -42.73 73.61 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.667 ' OE2' HD11 ' A' ' 36' ' ' LEU . 98.0 mt-10 -73.84 -31.98 63.46 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.495 HD11 HD13 ' A' ' 81' ' ' LEU . 68.3 mt -94.1 146.81 23.7 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 122.346 1.069 . . . . 0.0 113.83 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' PHE . 87.1 p -57.88 -25.4 60.71 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 113.778 -1.556 . . . . 0.0 109.228 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 47' ' ' ALA . . . -46.92 -13.1 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 42' ' ' SER . 63.1 t80 -51.32 -44.36 61.95 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.01 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.9 tp -63.34 -39.11 93.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.113 0.482 . . . . 0.0 110.907 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -98.32 15.79 23.53 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.412 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.597 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -55.05 -30.63 60.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -177.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.603 ' O ' HG12 ' A' ' 51' ' ' VAL . 93.5 mt-30 -32.65 -111.13 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -178.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -57.66 -31.49 66.37 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.921 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -53.25 -33.83 54.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.026 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.721 ' O ' HG12 ' A' ' 54' ' ' VAL . 7.3 p -52.44 -36.76 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.451 -179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -57.13 -36.89 71.24 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.085 0.469 . . . . 0.0 110.687 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.99 -28.11 64.1 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.171 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 51' ' ' VAL . 3.6 p -54.82 -36.76 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 C-N-CA 119.357 -0.937 . . . . 0.0 109.073 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -65.63 -42.66 91.23 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.927 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.48 -40.81 98.09 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 m -72.7 -34.11 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.453 ' SD ' ' CD2' ' A' ' 33' ' ' LEU . 94.2 mmm -59.7 -37.82 79.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -179.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -60.3 -43.47 96.29 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.944 -0.703 . . . . 0.0 112.27 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.64 -41.23 75.87 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.142 -0.623 . . . . 0.0 112.111 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.92 -37.52 81.76 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.501 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 52.1 t0 -85.14 100.16 11.55 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.479 -0.888 . . . . 0.0 110.941 -179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -68.54 -35.96 78.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.33 0.586 . . . . 0.0 109.979 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -59.15 -38.59 80.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.784 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.06 3.43 90.58 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 107.906 -2.078 . . . . 0.0 107.906 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.7 p30 -63.46 -33.82 76.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 114.181 -1.009 . . . . 0.0 112.729 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.653 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.91 -0.63 64.72 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.97 149.9 28.54 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.435 HG13 ' HB2' ' A' ' 73' ' ' GLU . 38.4 t -112.99 132.62 61.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.218 0.532 . . . . 0.0 111.065 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 47.5 p30 -106.15 171.03 7.57 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -53.86 -42.14 68.23 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.841 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.483 ' O ' HG12 ' A' ' 75' ' ' VAL . 51.1 tt0 -59.15 -42.39 90.58 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.842 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 76' ' ' VAL . 95.4 mt-10 -68.57 -38.08 80.42 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.476 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -63.25 -44.41 95.28 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.2 p -59.89 -39.22 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.07 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.858 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 73' ' ' GLU . 31.9 m -76.42 -33.18 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.889 178.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.11 -42.32 94.48 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.468 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.5 m -73.34 -32.23 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.04 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.71 94.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.735 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.22 92.96 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.245 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.554 ' CD1' HD12 ' A' ' 37' ' ' LEU . 75.0 mt -64.95 -36.8 85.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.554 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.526 HG23 ' HB2' ' B' ' 8' ' ' MET . 48.6 m -54.61 -36.82 64.87 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.111 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.84 -35.09 54.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.045 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.26 80.39 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.503 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.2 ttt -60.0 -39.44 85.79 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.378 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -58.23 -42.07 85.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.1 -41.84 97.4 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.375 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.8 -41.59 95.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.463 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -53.81 -39.4 65.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.062 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -54.42 -34.7 61.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.076 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.63 -33.21 68.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.507 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -99.68 120.51 39.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.524 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.602 179.896 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.4 m -62.69 155.63 25.85 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 120.899 0.381 . . . . 0.0 110.503 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.94 -35.93 75.99 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.041 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 39.5 tp -62.77 -41.74 99.37 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.049 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.99 -41.54 98.15 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.5 m -64.37 -38.97 92.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.267 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.596 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -63.8 -43.36 96.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.643 -178.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.526 ' HB2' HG23 ' A' ' 82' ' ' THR . 11.4 ptp -62.82 -38.84 92.32 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.316 -178.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.03 -32.55 66.29 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.95 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.605 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 66.5 p -63.72 -31.87 73.17 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.551 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.525 HD12 HG21 ' A' ' 82' ' ' THR . 52.0 mt -63.38 -42.35 98.83 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.963 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.7 mt -64.94 -47.93 86.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.065 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -60.28 -43.23 96.41 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.5 HG13 ' O ' ' B' ' 10' ' ' THR . 13.7 m -72.47 -37.3 56.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.754 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -61.89 -53.15 59.81 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.566 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -64.27 -46.55 83.21 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.73 -50.84 63.36 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 119.742 -0.783 . . . . 0.0 111.991 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.691 ' CG ' HD13 ' B' ' 36' ' ' LEU . 74.3 m80 -65.05 -49.21 70.98 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.143 -0.623 . . . . 0.0 112.167 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.449 ' O ' ' O ' ' B' ' 22' ' ' GLU . 85.8 p -65.93 -33.7 76.42 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.19 -37.98 94.67 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.719 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.5 -40.83 83.89 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.894 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.572 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.8 mm-40 -124.6 149.35 47.14 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.009 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.68 -167.78 44.34 Favored Glycine 0 CA--C 1.518 0.279 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.1 138.71 45.98 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -60.45 -38.39 84.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.136 0.493 . . . . 0.0 110.52 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -66.92 -32.28 73.43 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -117.41 146.1 43.67 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -106.11 129.58 54.17 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.6 m -104.53 157.03 17.45 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.261 0.553 . . . . 0.0 111.92 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.416 ' HZ1' HG13 ' B' ' 54' ' ' VAL . 7.5 tptp -54.61 -41.75 70.33 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.627 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.97 -40.77 90.2 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.697 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.572 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.4 mt-10 -64.76 -39.19 93.21 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.287 0.565 . . . . 0.0 109.999 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.456 ' CD2' ' SD ' ' B' ' 58' ' ' MET . 24.1 tp -63.47 -42.68 98.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.806 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -61.14 -45.47 94.53 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.116 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.83 -41.59 87.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.013 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.691 HD13 ' CG ' ' B' ' 18' ' ' HIS . 52.2 tp -65.91 -49.13 69.09 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 119.963 -0.695 . . . . 0.0 112.447 -178.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 2.5 mm? -69.91 -41.08 75.15 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 119.758 -0.777 . . . . 0.0 112.043 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.502 HE21 ' HA ' ' B' ' 44' ' ' PHE . 44.4 tp60 -63.68 -43.1 97.64 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.708 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.2 m -69.73 -42.82 73.47 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.665 ' OE2' HD11 ' B' ' 36' ' ' LEU . 98.0 mt-10 -73.78 -32.1 63.61 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.505 HD11 HD13 ' B' ' 81' ' ' LEU . 68.6 mt -93.94 146.91 23.58 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 122.43 1.11 . . . . 0.0 113.79 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.526 ' O ' ' N ' ' B' ' 44' ' ' PHE . 87.0 p -57.93 -25.51 61.01 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 113.84 -1.527 . . . . 0.0 109.246 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' B' ' 47' ' ' ALA . . . -46.84 -13.05 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' B' ' 42' ' ' SER . 63.3 t80 -51.32 -44.43 61.96 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 120.241 -0.584 . . . . 0.0 109.962 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 27.8 tp -63.32 -39.08 93.56 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.149 0.5 . . . . 0.0 110.938 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -98.29 15.76 23.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.401 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.598 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -55.1 -30.57 59.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.598 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.6 mt-30 -32.74 -111.09 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -57.63 -31.5 66.33 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.952 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -53.37 -33.74 54.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.0 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.718 ' O ' HG12 ' B' ' 54' ' ' VAL . 7.2 p -52.54 -36.71 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.414 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -57.12 -36.87 71.18 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.751 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.11 -27.91 64.14 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.176 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.718 HG12 ' O ' ' B' ' 51' ' ' VAL . 3.6 p -54.91 -36.78 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 C-N-CA 119.421 -0.911 . . . . 0.0 108.987 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -65.7 -42.63 90.96 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 119.874 -0.731 . . . . 0.0 110.936 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.53 -40.82 98.02 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 m -72.58 -34.09 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.456 ' SD ' ' CD2' ' B' ' 33' ' ' LEU . 94.3 mmm -59.63 -37.83 79.71 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -60.34 -43.44 96.44 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.27 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.64 -41.25 75.84 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.148 -0.621 . . . . 0.0 112.095 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.78 -37.73 82.44 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.512 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 52.0 t0 -85.04 100.18 11.51 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.987 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -68.56 -36.06 78.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.303 0.573 . . . . 0.0 109.938 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -59.0 -38.68 79.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.75 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.1 3.46 90.56 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.0 p30 -63.55 -33.8 76.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.194 -1.003 . . . . 0.0 112.654 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.645 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.92 -0.65 64.72 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.89 149.94 28.42 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.438 HG13 ' HB2' ' B' ' 73' ' ' GLU . 38.6 t -113.07 132.46 61.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.224 0.535 . . . . 0.0 111.049 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.439 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 47.5 p30 -106.05 170.99 7.58 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 177.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -53.8 -42.03 67.93 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.864 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.484 ' O ' HG12 ' B' ' 75' ' ' VAL . 51.0 tt0 -59.26 -42.41 91.08 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.764 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.445 ' O ' HG22 ' B' ' 76' ' ' VAL . 95.4 mt-10 -68.52 -38.13 80.63 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.487 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -63.23 -44.46 95.19 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.484 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.2 p -59.8 -39.22 79.26 Favored 'Isoleucine or valine' 0 C--O 1.23 0.071 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.934 -178.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.445 HG22 ' O ' ' B' ' 73' ' ' GLU . 31.3 m -76.36 -33.23 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.008 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.1 -42.27 94.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.478 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -73.35 -32.3 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.006 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.72 94.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.708 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.13 -43.08 93.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.271 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.554 ' CD1' HD12 ' B' ' 37' ' ' LEU . 75.5 mt -65.01 -36.81 85.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.502 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.532 HG23 ' HB2' ' A' ' 8' ' ' MET . 47.0 m -54.69 -36.79 65.05 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.065 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.86 -35.08 54.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.031 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.33 80.31 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.503 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 25.2 ttt -60.05 -39.44 85.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.334 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -58.26 -42.08 85.65 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.324 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.02 -41.87 97.37 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.367 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -60.77 -41.62 95.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.47 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -53.8 -39.41 65.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.047 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -54.43 -34.67 61.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.083 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.65 -33.18 68.04 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -99.63 120.43 39.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.623 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.541 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.491 ' OG ' ' CG ' ' B' ' 40' ' ' GLU . 32.9 t . . . . . 0 C--O 1.236 0.374 0 CA-C-O 120.79 0.328 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.69 -36.99 80.15 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.933 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.9 tp -61.23 -42.04 97.92 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.172 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.73 -42.19 91.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.526 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.5 m -63.26 -42.82 99.21 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.122 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.56 -39.87 84.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.06 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.595 ' CG ' HG23 ' B' ' 82' ' ' THR . 60.8 ttp -61.05 -42.04 97.74 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.06 -31.27 66.89 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.07 0.462 . . . . 0.0 110.06 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.401 ' O ' HG13 ' A' ' 14' ' ' VAL . 35.1 m -56.3 -35.83 67.96 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.843 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.6 mt -59.6 -42.37 92.41 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 118.997 -1.081 . . . . 0.0 111.159 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.1 mt -65.96 -46.35 88.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.228 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -61.65 -41.63 97.79 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.585 -0.446 . . . . 0.0 112.16 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.432 ' C ' ' HD1' ' A' ' 18' ' ' HIS . 16.3 m -73.04 -38.5 55.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.364 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -60.84 -46.85 88.95 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.677 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.81 -48.0 78.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.994 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.19 -51.21 56.35 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.006 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.624 ' CG ' HD13 ' A' ' 36' ' ' LEU . 75.5 m80 -61.51 -46.37 90.26 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 t -61.49 -40.6 95.17 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.35 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.9 -36.26 93.06 Favored Glycine 0 CA--C 1.522 0.529 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.556 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.44 -41.68 85.62 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.492 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -129.66 144.74 51.42 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.608 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.54 -163.75 54.78 Favored Glycine 0 C--N 1.331 0.298 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.42 137.37 48.25 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -61.83 -38.82 89.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.071 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -66.41 -34.18 77.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.67 147.18 48.71 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -106.68 125.6 51.21 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.677 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.6 p -87.06 159.08 19.06 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.797 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -57.81 -39.32 77.29 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.147 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -59.33 -42.03 90.5 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.476 -0.89 . . . . 0.0 109.818 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.492 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 98.0 mt-10 -65.65 -38.73 90.17 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 109.735 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.1 tp -62.82 -42.14 99.6 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.588 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.14 -43.22 99.23 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.451 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.65 -40.16 94.95 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.653 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.624 HD13 ' CG ' ' A' ' 18' ' ' HIS . 30.2 tp -62.69 -48.03 81.04 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.961 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.647 HD13 ' CD1' ' A' ' 81' ' ' LEU . 59.9 mt -68.39 -36.9 79.82 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.922 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.57 -44.54 96.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.587 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.5 m -80.76 -53.62 6.34 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.588 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 49.5 mp0 -76.6 -27.47 55.78 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.712 ' CD1' ' H ' ' A' ' 43' ' ' GLY . 0.4 OUTLIER -88.85 125.45 34.93 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 119.486 -0.885 . . . . 0.0 110.565 -177.011 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.578 ' O ' ' N ' ' A' ' 44' ' ' PHE . 23.7 m -55.66 -32.77 63.51 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.858 -179.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.712 ' H ' ' CD1' ' A' ' 41' ' ' LEU . . . -45.24 -13.11 0.04 OUTLIER Glycine 0 CA--C 1.52 0.397 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.578 ' N ' ' O ' ' A' ' 42' ' ' SER . 78.5 t80 -50.16 -42.97 51.95 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.914 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.67 -36.95 82.33 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.557 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 58.8 t0 -104.58 13.83 30.96 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.875 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.923 ' HB1' ' CG2' ' A' ' 51' ' ' VAL . . . -58.47 -41.25 84.81 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.59 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.598 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.8 mt-30 28.39 -158.95 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.637 0.732 . . . . 0.0 112.329 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -58.18 -22.16 50.36 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.832 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -51.6 -32.76 29.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.048 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.923 ' CG2' ' HB1' ' A' ' 47' ' ' ALA . 48.0 t -52.06 -38.95 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 C-N-CA 119.819 -0.752 . . . . 0.0 110.336 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -54.67 -35.71 63.85 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.016 0.436 . . . . 0.0 110.639 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.15 -27.61 62.02 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.169 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.0 p -52.1 -37.13 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -65.98 -43.35 88.1 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.107 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.52 -41.32 98.78 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.8 m -73.09 -29.59 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.338 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.9 ttt -54.9 -39.62 68.96 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.937 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.88 -42.45 93.79 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.42 -41.25 93.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.562 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.6 mt -66.99 -38.37 85.9 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.538 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 53.1 t0 -89.56 108.14 19.49 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.694 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.62 -34.64 77.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.26 0.552 . . . . 0.0 109.989 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -58.44 -39.45 79.87 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.294 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.48 6.75 84.68 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 108.241 -1.944 . . . . 0.0 108.241 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.658 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 48.8 p30 -63.31 -33.28 75.18 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 114.381 -0.91 . . . . 0.0 112.866 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.658 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.75 -3.64 62.98 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.43 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 95.9 mt-10 -114.77 155.64 26.33 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.16 153.54 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-O 121.679 0.752 . . . . 0.0 111.915 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 50.5 p30 -117.54 177.49 4.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.36 -1.291 . . . . 0.0 108.474 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -54.16 -42.65 69.82 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.949 -0.701 . . . . 0.0 110.771 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.458 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.9 tt0 -59.58 -43.11 93.73 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 120.323 -0.551 . . . . 0.0 112.001 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.488 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 92.7 mt-10 -69.57 -37.68 77.09 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.697 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.431 ' O ' HG13 ' A' ' 78' ' ' VAL . 71.3 t80 -62.24 -45.83 91.56 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.6 p -60.95 -39.77 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.021 -0.672 . . . . 0.0 111.42 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 m -76.43 -34.26 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 120.049 -0.661 . . . . 0.0 110.34 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.409 ' C ' HD23 ' A' ' 77' ' ' LEU . 9.5 tt -61.75 -41.89 98.27 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.779 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 74' ' ' TYR . 12.8 m -73.12 -33.0 41.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.364 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.29 88.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.019 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.92 96.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.954 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.647 ' CD1' HD13 ' A' ' 37' ' ' LEU . 67.9 mt -64.29 -36.65 84.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.15 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.602 HG23 ' CG ' ' B' ' 8' ' ' MET . 61.9 m -52.93 -37.68 61.11 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.483 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.3 t -59.92 -35.61 61.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.62 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.61 90.6 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.125 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.0 ttp -60.34 -39.0 85.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.033 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -58.55 -42.28 87.49 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.345 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -60.98 -41.63 96.78 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.424 178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -60.77 -41.58 95.79 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.286 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.73 -39.83 65.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.97 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -54.69 -34.71 62.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.199 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.86 -33.25 68.47 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.546 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -103.61 137.17 42.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.568 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.481 ' OG ' ' CG ' ' A' ' 40' ' ' GLU . 32.9 t -107.45 141.87 38.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.572 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.72 -36.93 80.08 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 42.1 tp -61.22 -42.11 98.04 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.095 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.63 -42.24 91.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.599 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.1 m -63.23 -42.86 99.29 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.085 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.52 -39.86 85.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.056 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.602 ' CG ' HG23 ' A' ' 82' ' ' THR . 60.8 ttp -61.14 -42.0 97.76 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.02 -31.24 66.79 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.098 0.475 . . . . 0.0 110.145 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.4 m -56.31 -35.9 68.07 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.771 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.2 mt -59.5 -42.41 92.12 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 119.031 -1.068 . . . . 0.0 111.248 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.9 -46.44 88.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.207 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -61.63 -41.59 97.7 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.541 -0.464 . . . . 0.0 112.193 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.427 ' C ' ' HD1' ' B' ' 18' ' ' HIS . 16.4 m -73.06 -38.47 55.54 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.363 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.8 -46.83 88.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.696 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.92 -47.95 78.52 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.015 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.11 -51.23 56.66 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.226 -0.59 . . . . 0.0 112.094 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.632 ' CG ' HD13 ' B' ' 36' ' ' LEU . 75.5 m80 -61.43 -46.43 90.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.124 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.4 t -61.49 -40.65 95.32 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.353 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.82 -36.26 93.08 Favored Glycine 0 CA--C 1.521 0.431 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.583 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.54 -41.69 86.09 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.491 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -129.64 144.77 51.43 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.493 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.61 -163.73 54.76 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.46 137.29 48.12 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -61.76 -38.88 89.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.042 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -66.37 -34.17 77.36 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.66 147.06 48.77 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -177.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 tp -106.57 125.67 51.3 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 114.661 -1.154 . . . . 0.0 108.655 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 54.7 p -87.13 159.13 19.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.221 -0.592 . . . . 0.0 109.706 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -57.9 -39.22 77.38 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.144 -0.623 . . . . 0.0 111.156 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -59.34 -42.08 90.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 119.428 -0.909 . . . . 0.0 109.838 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.491 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 98.0 mt-10 -65.65 -38.6 89.81 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.08 0.467 . . . . 0.0 109.782 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.88 -42.2 99.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.573 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.1 -43.17 99.29 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.505 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.63 -40.06 94.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.782 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.632 HD13 ' CG ' ' B' ' 18' ' ' HIS . 30.3 tp -62.83 -47.96 81.12 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.98 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.641 HD13 ' CD1' ' B' ' 81' ' ' LEU . 60.4 mt -68.43 -36.87 79.69 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.868 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.53 -44.65 95.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.545 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 56.0 m -80.63 -53.71 6.3 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.599 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 49.6 mp0 -76.43 -27.56 56.29 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -177.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.713 ' CD1' ' H ' ' B' ' 43' ' ' GLY . 0.4 OUTLIER -88.84 125.47 34.93 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.648 -177.01 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.584 ' O ' ' N ' ' B' ' 44' ' ' PHE . 23.9 m -55.75 -32.67 63.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.813 -179.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.713 ' H ' ' CD1' ' B' ' 41' ' ' LEU . . . -45.27 -13.12 0.04 OUTLIER Glycine 0 CA--C 1.52 0.366 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.584 ' N ' ' O ' ' B' ' 42' ' ' SER . 78.6 t80 -50.16 -42.92 51.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.95 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.2 mt -61.67 -36.9 82.18 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.57 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.481 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 58.9 t0 -104.67 13.76 30.95 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.817 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.917 ' HB1' ' CG2' ' B' ' 51' ' ' VAL . . . -58.43 -41.29 84.72 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.576 -177.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.594 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.9 mt-30 28.48 -158.95 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.645 0.736 . . . . 0.0 112.271 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -58.18 -22.17 50.5 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.847 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -51.68 -32.62 30.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.167 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.917 ' CG2' ' HB1' ' B' ' 47' ' ' ALA . 48.2 t -52.07 -38.92 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.346 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -54.76 -35.66 64.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.43 . . . . 0.0 110.634 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.07 -27.7 61.95 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.158 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.644 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.0 p -52.13 -37.06 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.246 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -66.03 -43.32 87.93 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.114 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.55 -41.3 98.81 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 19.9 m -73.09 -29.58 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.319 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 21.8 ttt -54.82 -39.62 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.043 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -59.91 -42.52 94.05 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.257 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.39 -41.2 93.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.604 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 74.7 mt -66.97 -38.33 85.88 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.539 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 53.1 t0 -89.58 108.09 19.46 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.68 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.51 -34.73 77.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.248 0.547 . . . . 0.0 110.02 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -58.39 -39.35 79.42 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.359 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.31 6.81 84.29 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 108.264 -1.934 . . . . 0.0 108.264 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.648 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 48.7 p30 -63.3 -33.23 75.06 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.365 -0.917 . . . . 0.0 112.896 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.648 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.74 -3.7 63.05 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -178.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.435 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 95.9 mt-10 -114.77 155.57 26.46 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.2 m -125.1 153.54 32.46 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-O 121.692 0.758 . . . . 0.0 111.963 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.43 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 50.6 p30 -117.57 177.48 4.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.419 -1.264 . . . . 0.0 108.471 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -54.05 -42.73 69.54 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.746 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.457 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.9 tt0 -59.62 -43.18 93.89 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 120.242 -0.583 . . . . 0.0 112.009 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.484 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 92.7 mt-10 -69.51 -37.61 77.23 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.906 -0.717 . . . . 0.0 110.71 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.424 ' O ' HG13 ' B' ' 78' ' ' VAL . 71.4 t80 -62.26 -45.91 91.18 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.457 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.6 p -60.85 -39.78 83.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.099 -0.641 . . . . 0.0 111.399 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 m -76.52 -34.22 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.345 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.427 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.5 tt -61.73 -41.93 98.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.829 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.424 HG13 ' O ' ' B' ' 74' ' ' TYR . 13.1 m -73.07 -33.03 41.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 C-N-CA 119.787 -0.765 . . . . 0.0 110.392 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.25 87.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.048 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.0 96.26 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.872 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.641 ' CD1' HD13 ' B' ' 37' ' ' LEU . 68.2 mt -64.27 -36.63 84.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.189 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.595 HG23 ' CG ' ' A' ' 8' ' ' MET . 62.0 m -52.92 -37.66 61.04 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.494 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.9 -35.67 62.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.638 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.64 90.82 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.192 -0.603 . . . . 0.0 111.062 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.1 ttp -60.31 -39.04 85.59 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.996 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -58.33 -42.3 86.5 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.483 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -61.07 -41.58 96.9 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.345 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.75 -41.63 95.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.236 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.8 -39.75 65.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.974 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.69 -34.66 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.278 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.86 -33.32 68.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.535 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -103.58 137.11 42.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.505 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.583 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.444 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 57.1 p . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.18 -38.65 77.09 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.839 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp -61.95 -41.63 98.2 Favored 'General case' 0 C--O 1.243 0.725 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.58 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.01 -40.81 96.94 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.431 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -64.57 -40.16 95.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.722 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.25 93.29 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.491 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.483 ' HB2' HG23 ' B' ' 82' ' ' THR . 13.4 ptp -62.4 -39.75 94.27 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 119.222 -0.991 . . . . 0.0 111.046 -179.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.586 ' OE1' HD12 ' A' ' 12' ' ' ILE . 76.5 mm-40 -57.02 -31.61 65.3 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.095 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.6 m -55.77 -38.13 69.45 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.196 -0.601 . . . . 0.0 109.886 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.01 -40.34 97.48 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.373 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.586 HD12 ' OE1' ' A' ' 9' ' ' GLU . 76.6 mt -64.17 -46.15 94.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.375 -179.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -60.78 -41.55 95.78 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.39 -0.524 . . . . 0.0 112.001 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -72.43 -39.02 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.332 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -61.32 -47.05 87.7 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.641 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.566 ' CE1' ' CG2' ' A' ' 12' ' ' ILE . 62.7 m170 -61.6 -45.68 93.05 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.914 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.3 -50.38 65.92 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.986 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.594 ' CD2' HD13 ' A' ' 36' ' ' LEU . 92.4 m-70 -62.54 -46.54 87.93 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.141 -0.624 . . . . 0.0 111.541 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t -61.35 -41.99 97.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.015 0.436 . . . . 0.0 111.359 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.467 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . . . -63.58 -39.57 97.75 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.46 -0.791 . . . . 0.0 113.596 -178.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -59.99 -43.4 95.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' CD ' ' A' ' 32' ' ' GLU . 94.9 mt-10 -131.91 150.79 52.05 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.722 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.04 -165.84 53.65 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 27' ' ' LYS . 88.6 m-20 -70.78 137.16 49.35 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 20' ' ' GLY . 68.3 mmtt -61.14 -39.44 90.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.096 0.474 . . . . 0.0 110.326 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -67.5 -34.8 77.87 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.566 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 34.2 mtpt -123.0 153.17 40.15 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.582 0.706 . . . . 0.0 112.896 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.3 tp -98.47 125.48 43.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.1 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.3 p -83.53 156.45 22.8 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.961 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -59.19 -36.91 76.19 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 119.128 -1.029 . . . . 0.0 109.806 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -55.65 -41.94 74.32 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 119.297 -0.961 . . . . 0.0 108.588 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 22' ' ' GLU . 48.7 mt-10 -67.74 -38.57 83.7 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.065 177.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.7 tp -64.43 -46.71 82.02 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -60.42 -44.02 96.16 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.963 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.39 -38.86 91.23 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.214 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.594 HD13 ' CD2' ' A' ' 18' ' ' HIS . 36.1 tp -64.43 -43.78 93.27 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.425 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.44 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -68.25 -42.8 79.11 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.586 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.463 ' NE2' HG11 ' A' ' 51' ' ' VAL . 94.5 mt-30 -64.84 -42.23 95.07 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.647 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.47 -42.77 74.41 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.2 mm-40 -75.09 -33.82 61.69 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.604 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -95.76 142.84 27.56 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -178.352 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.591 ' O ' ' N ' ' A' ' 44' ' ' PHE . 24.8 m -55.66 -28.92 58.11 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.027 177.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -44.75 -10.23 0.01 OUTLIER Glycine 0 CA--C 1.522 0.505 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.419 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.591 ' N ' ' O ' ' A' ' 42' ' ' SER . 65.5 t80 -49.32 -41.04 37.33 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.5 tp -58.41 -36.42 73.55 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 43' ' ' GLY . 89.1 m-20 -86.65 13.25 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.195 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.529 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -59.76 -11.75 5.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.396 -178.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.633 ' O ' HG22 ' A' ' 51' ' ' VAL . 93.9 mt-30 -51.44 -156.94 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.261 0.553 . . . . 0.0 111.636 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -54.16 -21.08 7.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.555 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.71 -34.19 58.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.504 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 48' ' ' GLN . 24.0 m -58.14 -14.0 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.812 -179.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -55.55 -36.06 66.38 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' ' 57' ' ' VAL . . . -56.91 -28.63 62.23 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.189 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.574 ' O ' HG22 ' A' ' 57' ' ' VAL . 71.4 t -56.68 -39.35 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.59 -41.03 93.87 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.114 -1.034 . . . . 0.0 109.701 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -63.27 -38.78 92.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.822 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 54' ' ' VAL . 2.5 m -70.51 -31.3 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.256 -177.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.11 -36.37 72.81 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.41 -40.02 85.32 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.888 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -67.02 -41.24 86.97 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.655 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.702 ' CD1' HD12 ' A' ' 77' ' ' LEU . 71.6 mt -68.21 -36.63 79.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.824 0.345 . . . . 0.0 111.37 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.495 ' OD1' ' OE1' ' A' ' 73' ' ' GLU . 97.5 m-20 -98.6 71.24 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.141 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.28 -29.02 69.6 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -53.68 -36.48 62.21 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.123 -1.399 . . . . 0.0 110.089 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.55 3.69 74.38 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 108.441 -1.864 . . . . 0.0 108.441 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.694 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.9 p30 -62.57 -35.78 80.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.316 -0.942 . . . . 0.0 113.03 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.694 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 86.83 0.75 85.63 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 108.562 -1.815 . . . . 0.0 108.562 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.566 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 95.9 mt-10 -116.64 157.97 24.51 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 114.44 -0.88 . . . . 0.0 109.098 179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.45 150.41 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.647 0.737 . . . . 0.0 111.449 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -102.88 161.85 13.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.048 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -51.51 -40.05 58.84 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.16 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.464 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.2 tt0 -57.6 -41.59 81.52 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.824 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.495 ' OE1' ' OD1' ' A' ' 62' ' ' ASP . 93.1 mt-10 -68.27 -39.82 82.04 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.536 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -63.36 -44.48 94.68 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 72' ' ' GLN . 2.7 p -59.68 -39.14 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.509 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 73' ' ' GLU . 31.6 m -75.97 -33.24 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 120.055 -0.658 . . . . 0.0 109.91 178.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.702 HD12 ' CD1' ' A' ' 61' ' ' LEU . 7.8 tt -59.73 -42.82 93.98 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.736 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.8 m -73.41 -32.65 37.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.401 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.39 92.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.485 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.11 -43.0 93.44 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.307 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 65.0 mt -64.7 -36.28 83.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.718 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.481 HG23 ' HB2' ' B' ' 8' ' ' MET . 50.5 m -53.31 -37.69 62.48 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.484 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.91 -35.88 63.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.237 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.77 80.7 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.257 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.4 tpt -59.12 -38.41 79.53 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -58.32 -44.38 88.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.017 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.76 -41.75 99.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.288 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.74 -42.08 96.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.044 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -53.58 -39.19 64.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.994 -178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -54.41 -34.74 61.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.595 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.32 -32.67 72.54 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.63 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.85 136.99 42.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.5 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.1 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.559 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.499 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 57.4 p -69.73 161.62 29.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.725 0.298 . . . . 0.0 110.588 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.26 -38.73 77.5 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.746 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.85 -41.7 98.14 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.573 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.96 -40.88 97.1 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.413 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -64.53 -40.2 95.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.683 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.25 93.64 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.571 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.481 ' HB2' HG23 ' A' ' 82' ' ' THR . 13.4 ptp -62.54 -39.64 94.24 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.96 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.579 ' OE1' HD12 ' B' ' 12' ' ' ILE . 76.6 mm-40 -57.08 -31.69 65.5 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.1 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.8 m -55.59 -38.29 69.22 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.194 -0.603 . . . . 0.0 109.926 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.7 mt -62.93 -40.31 97.23 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.44 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.579 HD12 ' OE1' ' B' ' 9' ' ' GLU . 76.6 mt -64.13 -46.16 94.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.362 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -60.7 -41.72 95.75 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.442 -0.503 . . . . 0.0 112.007 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 30.2 m -72.31 -39.11 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.338 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.22 -47.1 87.68 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.642 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.571 ' CE1' ' CG2' ' B' ' 12' ' ' ILE . 62.5 m170 -61.66 -45.66 93.06 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.897 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.2 -50.44 65.9 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 119.892 -0.723 . . . . 0.0 111.968 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.581 ' CD2' HD13 ' B' ' 36' ' ' LEU . 92.4 m-70 -62.64 -46.44 88.21 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.553 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t -61.43 -41.94 97.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.007 0.432 . . . . 0.0 111.322 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.62 -39.53 97.67 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 115.475 -0.784 . . . . 0.0 113.602 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -60.01 -43.39 95.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -177.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.453 ' O ' ' CD ' ' B' ' 32' ' ' GLU . 94.9 mt-10 -131.89 150.71 52.07 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.753 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.09 -165.86 53.59 Favored Glycine 0 CA--C 1.518 0.263 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' B' ' 27' ' ' LYS . 88.6 m-20 -70.8 137.16 49.3 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -61.12 -39.49 90.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.015 0.436 . . . . 0.0 110.233 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -67.38 -34.91 78.26 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.559 ' NZ ' ' OE1' ' B' ' 68' ' ' GLU . 34.2 mtpt -122.9 153.15 40.06 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.9 tp -98.41 125.57 43.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.095 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 57.0 p -83.6 156.47 22.71 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.325 -0.55 . . . . 0.0 109.874 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -59.24 -36.93 76.35 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 119.074 -1.051 . . . . 0.0 109.787 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -55.59 -42.0 74.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 119.282 -0.967 . . . . 0.0 108.534 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' B' ' 22' ' ' GLU . 48.8 mt-10 -67.67 -38.68 84.07 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.002 177.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 tp -64.31 -46.71 82.38 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -60.4 -44.13 95.98 Favored 'General case' 0 N--CA 1.436 -1.171 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.915 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.38 -38.93 91.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.177 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.581 HD13 ' CD2' ' B' ' 18' ' ' HIS . 36.1 tp -64.29 -43.89 93.38 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 120.078 -0.649 . . . . 0.0 111.433 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.5 OUTLIER -68.14 -42.83 79.53 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.577 179.799 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.458 ' NE2' HG11 ' B' ' 51' ' ' VAL . 94.5 mt-30 -64.92 -42.1 94.99 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.49 -0.884 . . . . 0.0 111.622 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.55 -42.71 74.21 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.444 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 77.2 mm-40 -75.18 -33.76 61.49 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.616 ' N ' ' CD2' ' B' ' 41' ' ' LEU . 0.5 OUTLIER -95.88 142.83 27.66 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.957 0.885 . . . . 0.0 113.265 -178.292 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.591 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.1 m -55.65 -28.88 57.86 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.024 177.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' B' ' 46' ' ' ASP . . . -44.7 -10.22 0.01 OUTLIER Glycine 0 CA--C 1.522 0.471 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.442 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.591 ' N ' ' O ' ' B' ' 42' ' ' SER . 65.7 t80 -49.39 -41.01 38.1 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.39 -36.52 73.66 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 43' ' ' GLY . 88.9 m-20 -86.56 13.18 8.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.243 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.541 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -59.7 -11.77 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.326 -178.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.635 ' O ' HG22 ' B' ' 51' ' ' VAL . 94.0 mt-30 -51.48 -156.95 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.292 0.567 . . . . 0.0 111.628 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -54.04 -21.22 7.83 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.481 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -53.67 -34.2 57.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.809 0.338 . . . . 0.0 110.534 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.635 HG22 ' O ' ' B' ' 48' ' ' GLN . 23.7 m -58.12 -14.02 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.774 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.61 -36.08 66.56 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.554 ' O ' HG13 ' B' ' 57' ' ' VAL . . . -56.89 -28.6 62.08 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.195 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.574 ' O ' HG22 ' B' ' 57' ' ' VAL . 71.2 t -56.64 -39.43 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.64 -40.94 93.83 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.078 -1.049 . . . . 0.0 109.618 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -63.26 -38.84 92.74 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.78 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.574 HG22 ' O ' ' B' ' 54' ' ' VAL . 2.5 m -70.44 -31.41 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 120.203 -0.599 . . . . 0.0 112.215 -177.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.04 -36.39 72.68 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.33 -40.08 85.19 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.969 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.91 -41.31 87.31 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.013 -0.675 . . . . 0.0 111.685 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.719 ' CD1' HD12 ' B' ' 77' ' ' LEU . 71.5 mt -68.2 -36.58 79.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.85 0.357 . . . . 0.0 111.399 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.488 ' OD1' ' OE1' ' B' ' 73' ' ' GLU . 97.4 m-20 -98.61 71.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.114 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.25 -29.12 69.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -53.54 -36.57 61.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.106 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.54 3.75 74.33 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.694 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.9 p30 -62.44 -35.82 80.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.417 -0.891 . . . . 0.0 113.057 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.694 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 86.73 0.81 85.77 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 108.58 -1.808 . . . . 0.0 108.58 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.559 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 95.9 mt-10 -116.72 157.98 24.58 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 114.408 -0.896 . . . . 0.0 109.163 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.39 150.4 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.627 0.727 . . . . 0.0 111.474 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -102.95 161.75 13.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.519 -1.219 . . . . 0.0 108.99 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -51.49 -40.06 58.79 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.148 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.461 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.2 tt0 -57.58 -41.54 81.35 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.904 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.488 ' OE1' ' OD1' ' B' ' 62' ' ' ASP . 93.1 mt-10 -68.33 -39.83 81.83 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.475 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -63.26 -44.51 94.93 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.461 HG12 ' O ' ' B' ' 72' ' ' GLN . 2.7 p -59.6 -39.26 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.551 -178.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.473 HG22 ' O ' ' B' ' 73' ' ' GLU . 31.5 m -75.81 -33.36 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 120.159 -0.616 . . . . 0.0 109.896 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.719 HD12 ' CD1' ' B' ' 61' ' ' LEU . 7.8 tt -59.82 -42.81 94.33 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.626 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 23.0 m -73.4 -32.58 37.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.371 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.35 92.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.426 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.17 -43.04 93.01 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.266 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.405 ' CD1' ' CD1' ' B' ' 37' ' ' LEU . 65.8 mt -64.7 -36.25 83.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.751 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 8' ' ' MET . 48.5 m -53.2 -37.8 62.31 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.602 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 71.6 t -59.82 -35.9 63.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.275 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.8 80.92 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.164 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.4 tpt -59.14 -38.27 79.28 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -58.41 -44.32 88.97 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.038 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.79 -41.72 99.38 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.322 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.71 -42.13 96.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.048 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -53.54 -39.12 64.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.05 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -54.49 -34.73 62.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.579 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.3 -32.71 72.57 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.655 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.85 137.02 42.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.599 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.238 0.47 0 CA-C-O 120.993 0.425 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -59.51 -37.28 77.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.171 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.494 HD21 HG11 ' B' ' 14' ' ' VAL . 45.8 mt -63.94 -39.2 93.6 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.276 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.82 -39.19 90.62 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.619 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -63.1 -43.07 99.51 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.274 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.33 -37.34 83.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.223 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.714 ' CG ' HG23 ' B' ' 82' ' ' THR . 45.0 ttm -58.42 -42.82 88.1 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.765 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.29 -31.78 65.96 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.11 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.459 HG22 HD23 ' B' ' 4' ' ' LEU . 30.8 m -56.94 -36.91 70.8 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 14' ' ' VAL . 37.5 mt -63.3 -41.03 98.93 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 118.738 -1.185 . . . . 0.0 110.49 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.534 HD12 ' HE1' ' B' ' 85' ' ' MET . 75.9 mt -64.69 -38.34 82.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.769 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -58.38 -43.39 88.45 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 119.819 -0.753 . . . . 0.0 111.06 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 11' ' ' LEU . 20.7 m -74.66 -39.03 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.169 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.435 ' O ' ' OG ' ' A' ' 19' ' ' SER . 68.2 t80 -62.19 -47.49 84.27 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.792 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -63.19 -48.7 77.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.953 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.34 -51.14 60.29 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.829 -179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.473 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 77.2 m80 -63.08 -46.89 85.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.32 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.523 ' N ' ' OE2' ' A' ' 32' ' ' GLU . 29.3 m -60.97 -40.18 92.42 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.477 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.87 -47.11 68.31 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.776 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.09 -44.63 96.24 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -132.78 144.56 50.33 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.873 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.524 ' O ' ' O ' ' A' ' 27' ' ' LYS . . . 73.95 19.53 79.76 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 121.232 -0.509 . . . . 0.0 112.237 177.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.483 ' O ' ' O ' ' A' ' 27' ' ' LYS . 89.4 m-20 59.91 138.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 117.253 0.526 . . . . 0.0 109.949 -179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -58.46 -38.46 77.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.912 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -62.62 -35.03 78.25 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -177.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.524 ' O ' ' O ' ' A' ' 23' ' ' GLY . 97.7 mttt -125.39 147.43 49.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.145 0.498 . . . . 0.0 111.729 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tt -107.31 131.71 53.92 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -103.92 151.8 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.596 ' HZ2' ' CG ' ' A' ' 55' ' ' ASP . 66.0 tttt -56.64 -37.31 70.59 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.339 -0.944 . . . . 0.0 110.565 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -55.92 -40.95 73.84 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 118.324 -1.35 . . . . 0.0 107.945 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.523 ' OE2' ' N ' ' A' ' 19' ' ' SER . 81.0 tt0 -66.14 -40.93 90.99 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.732 177.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 33.9 tp -67.19 -47.96 69.35 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -60.63 -45.89 92.35 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.763 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.78 -37.94 87.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.157 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.473 HD12 ' CG ' ' A' ' 18' ' ' HIS . 9.1 tt -64.24 -43.97 93.24 Favored 'General case' 0 CA--C 1.522 -0.113 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.661 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -67.84 -39.61 83.83 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.158 178.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.68 -44.98 95.92 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.096 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.2 m -70.8 -42.02 70.84 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.442 ' CG ' HD12 ' B' ' 4' ' ' LEU . 78.5 mm-40 -74.09 -33.46 63.64 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -177.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 81' ' ' LEU . 69.5 mt -97.17 148.13 23.38 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -178.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.582 ' O ' ' N ' ' A' ' 44' ' ' PHE . 24.6 m -55.13 -29.73 58.31 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 113.985 -1.461 . . . . 0.0 108.602 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -45.36 -10.46 0.02 OUTLIER Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.321 -1.111 . . . . 0.0 110.321 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 42' ' ' SER . 55.5 t80 -50.08 -43.92 51.6 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.4 tp -62.09 -36.56 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.431 0.634 . . . . 0.0 109.571 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.66 ' C ' ' H ' ' A' ' 48' ' ' GLN . 89.1 m-20 -87.89 11.43 15.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.56 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.416 ' HA ' HG11 ' A' ' 51' ' ' VAL . . . -56.61 19.87 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.66 ' H ' ' C ' ' A' ' 46' ' ' ASP . 93.2 mt-30 -62.84 158.31 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 56.1 pttt -40.74 -16.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.667 -178.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 48' ' ' GLN . 92.3 m-20 -54.86 -34.56 63.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.183 0.516 . . . . 0.0 110.367 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 54' ' ' VAL . 20.9 m -57.05 -11.79 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.356 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 92.2 m-20 -55.7 -34.62 65.25 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.49 -27.35 62.46 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.583 0.706 . . . . 0.0 109.974 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.0 p -52.36 -35.96 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.596 ' CG ' ' HZ2' ' A' ' 30' ' ' LYS . 55.9 t0 -60.11 -42.37 94.58 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.41 178.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -63.92 -38.69 92.02 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.601 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 54' ' ' VAL . 2.1 m -69.48 -31.12 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 119.927 -0.709 . . . . 0.0 112.508 -177.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.8 mmm -55.79 -37.5 68.68 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.613 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -59.66 -42.4 92.74 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.15 -40.86 86.77 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.446 ' N ' HD12 ' A' ' 61' ' ' LEU . 6.7 mp -68.56 -39.95 80.82 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 120.102 -0.639 . . . . 0.0 112.119 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 60.7 t0 -89.85 112.43 23.77 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.677 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.11 -33.43 76.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -57.17 -38.15 73.16 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.564 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.46 20.76 79.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.582 ' C ' ' H ' ' A' ' 68' ' ' GLU . 44.6 p30 -88.69 3.63 50.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.04 -7.02 0.21 Allowed Glycine 0 CA--C 1.529 0.913 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.582 ' H ' ' C ' ' A' ' 66' ' ' ASP . 84.4 tt0 -108.21 145.25 34.51 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.8 m -124.16 150.1 28.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 CA-C-O 121.973 0.892 . . . . 0.0 112.267 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -104.01 164.79 11.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 113.895 -1.502 . . . . 0.0 109.027 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -51.42 -41.29 60.67 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.94 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.494 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.5 tt0 -58.94 -42.12 89.01 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 119.871 -0.732 . . . . 0.0 111.012 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.444 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.9 mt-10 -68.58 -38.3 80.58 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.206 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -62.52 -44.67 95.78 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.7 p -59.77 -39.31 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.667 -178.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.2 m -76.13 -32.02 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.522 178.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.423 ' C ' HD23 ' A' ' 77' ' ' LEU . 10.1 tt -59.77 -42.47 93.39 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.752 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 75' ' ' VAL . 21.3 m -73.24 -33.04 40.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.798 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.86 86.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.149 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.88 95.86 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.071 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.426 HD13 HD11 ' A' ' 41' ' ' LEU . 64.0 mt -64.72 -36.44 84.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.225 179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.69 HG23 ' CG ' ' B' ' 8' ' ' MET . 73.7 m -52.89 -37.72 60.86 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.539 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.572 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 78.0 t -59.25 -36.43 63.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.459 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.79 -31.61 72.62 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.53 ' HE1' HD12 ' B' ' 12' ' ' ILE . 4.6 ttp -57.42 -38.44 74.34 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.58 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.726 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 32.0 p-10 -60.18 -42.42 94.98 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 119.279 -0.969 . . . . 0.0 109.712 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.726 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 93.6 m-20 -63.58 -38.47 91.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.765 178.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -60.12 -40.86 91.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.183 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.22 -38.92 63.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.973 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.27 -34.83 61.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.584 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.17 -32.38 72.11 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.641 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -99.58 120.23 39.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.447 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.569 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.5 m -63.28 157.56 22.51 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.904 0.383 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -59.41 -37.48 78.14 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.146 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.477 HD21 HG11 ' A' ' 14' ' ' VAL . 45.4 mt -63.81 -39.25 93.79 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.286 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.76 -39.37 90.97 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.522 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.8 m -62.97 -43.12 99.66 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.299 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.61 81.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.196 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.69 ' CG ' HG23 ' A' ' 82' ' ' THR . 45.1 ttm -59.03 -42.83 91.14 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.677 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.18 -31.88 65.88 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.14 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.45 HG22 HD23 ' A' ' 4' ' ' LEU . 30.5 m -56.88 -36.89 70.62 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.959 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.474 ' O ' HG22 ' B' ' 14' ' ' VAL . 37.5 mt -63.44 -40.84 98.23 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 118.702 -1.199 . . . . 0.0 110.475 -178.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.53 HD12 ' HE1' ' A' ' 85' ' ' MET . 75.9 mt -64.76 -38.29 82.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.76 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -58.45 -43.41 88.82 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.84 -0.744 . . . . 0.0 111.003 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.494 HG11 HD21 ' A' ' 4' ' ' LEU . 20.9 m -74.6 -39.01 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.153 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.447 ' O ' ' OG ' ' B' ' 19' ' ' SER . 68.4 t80 -62.25 -47.4 84.55 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.843 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -63.24 -48.69 77.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.992 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.29 -51.15 60.29 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 120.069 -0.652 . . . . 0.0 111.873 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.474 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 77.2 m80 -63.0 -46.9 85.47 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.424 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.52 ' N ' ' OE2' ' B' ' 32' ' ' GLU . 28.5 m -60.94 -40.22 92.44 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.561 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.93 -47.08 67.96 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.728 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.02 -44.72 96.12 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -132.8 144.52 50.29 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.817 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.527 ' O ' ' O ' ' B' ' 27' ' ' LYS . . . 73.99 19.47 79.77 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.209 177.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.48 ' O ' ' O ' ' B' ' 27' ' ' LYS . 89.6 m-20 59.96 138.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.965 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -58.45 -38.41 77.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.902 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -62.71 -34.97 78.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -177.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.527 ' O ' ' O ' ' B' ' 23' ' ' GLY . 97.7 mttt -125.47 147.45 49.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.091 0.472 . . . . 0.0 111.825 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -107.31 131.65 53.99 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -103.84 151.79 22.68 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.552 ' HZ2' ' CG ' ' B' ' 55' ' ' ASP . 66.0 tttt -56.75 -37.23 70.75 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.554 -178.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -55.83 -41.03 73.66 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 118.328 -1.349 . . . . 0.0 107.996 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.52 ' OE2' ' N ' ' B' ' 19' ' ' SER . 81.1 tt0 -66.14 -40.89 90.94 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.787 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 33.8 tp -67.17 -47.98 69.34 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -60.62 -45.87 92.39 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.741 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.84 -37.9 87.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.155 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.473 HD12 ' CG ' ' B' ' 18' ' ' HIS . 9.2 tt -64.33 -43.85 93.37 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 120.079 -0.649 . . . . 0.0 110.62 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.433 ' N ' ' CD2' ' B' ' 37' ' ' LEU . 0.5 OUTLIER -67.95 -39.64 83.4 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.081 178.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.65 -44.98 95.96 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.07 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -70.8 -42.11 70.73 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.441 ' CG ' HD12 ' A' ' 4' ' ' LEU . 78.6 mm-40 -73.98 -33.59 63.9 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -177.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.429 HD11 HD13 ' B' ' 81' ' ' LEU . 69.4 mt -97.17 148.07 23.44 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.585 ' O ' ' N ' ' B' ' 44' ' ' PHE . 24.7 m -55.09 -29.76 58.26 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 113.902 -1.499 . . . . 0.0 108.641 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -45.22 -10.48 0.02 OUTLIER Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.585 ' N ' ' O ' ' B' ' 42' ' ' SER . 55.7 t80 -50.12 -43.9 52.05 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.5 tp -62.05 -36.62 82.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.405 0.622 . . . . 0.0 109.618 177.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.65 ' C ' ' H ' ' B' ' 48' ' ' GLN . 88.8 m-20 -87.74 11.34 15.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.556 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.412 ' HA ' HG11 ' B' ' 51' ' ' VAL . . . -56.6 19.75 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.65 ' H ' ' C ' ' B' ' 46' ' ' ASP . 93.2 mt-30 -62.7 158.22 19.04 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 56.2 pttt -40.82 -15.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.67 -178.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' B' ' 48' ' ' GLN . 92.2 m-20 -54.9 -34.65 63.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.142 0.496 . . . . 0.0 110.297 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.667 ' O ' HG12 ' B' ' 54' ' ' VAL . 20.7 m -56.87 -11.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.402 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' B' ' 49' ' ' LYS . 92.3 m-20 -55.62 -34.67 65.11 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.404 ' O ' HG13 ' B' ' 57' ' ' VAL . . . -57.4 -27.49 62.4 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 121.586 0.707 . . . . 0.0 109.912 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.667 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.0 p -52.24 -36.05 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.552 ' CG ' ' HZ2' ' B' ' 30' ' ' LYS . 55.9 t0 -60.03 -42.49 94.49 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.35 178.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -63.85 -38.73 92.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.553 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.558 HG22 ' O ' ' B' ' 54' ' ' VAL . 2.1 m -69.45 -31.15 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 120.006 -0.678 . . . . 0.0 112.48 -177.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.8 mmm -55.88 -37.4 68.76 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.652 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -59.71 -42.36 92.86 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.11 -40.82 86.92 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.439 HD12 ' N ' ' B' ' 61' ' ' LEU . 6.7 mp -68.73 -39.85 80.18 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.07 -0.652 . . . . 0.0 112.063 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.54 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 60.8 t0 -89.99 112.4 23.79 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.641 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.04 -33.46 76.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -57.14 -38.19 73.14 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.531 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.54 20.67 79.49 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.603 ' C ' ' H ' ' B' ' 68' ' ' GLU . 44.8 p30 -88.79 3.68 50.19 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.03 -6.97 0.21 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.603 ' H ' ' C ' ' B' ' 66' ' ' ASP . 84.4 tt0 -108.24 145.31 34.49 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 25.5 m -124.12 150.07 28.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 CA-C-O 121.968 0.89 . . . . 0.0 112.27 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -104.03 164.84 11.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 113.847 -1.524 . . . . 0.0 109.014 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -51.45 -41.28 60.74 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.863 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.481 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.5 tt0 -58.9 -42.22 89.06 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.016 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.438 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.9 mt-10 -68.58 -38.26 80.55 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 119.816 -0.753 . . . . 0.0 110.206 178.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -62.51 -44.65 95.84 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.481 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.6 p -59.84 -39.27 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.65 -178.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.438 HG22 ' O ' ' B' ' 73' ' ' GLU . 33.1 m -76.02 -32.09 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.513 178.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.427 HD23 ' C ' ' B' ' 77' ' ' LEU . 10.1 tt -59.86 -42.36 93.5 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.739 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.415 HG22 ' O ' ' B' ' 75' ' ' VAL . 21.7 m -73.3 -33.01 39.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.709 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.79 86.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.091 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.47 -42.83 95.69 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.032 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.429 HD13 HD11 ' B' ' 41' ' ' LEU . 63.9 mt -64.79 -36.42 84.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.175 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.714 HG23 ' CG ' ' A' ' 8' ' ' MET . 75.1 m -52.82 -37.82 60.5 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.533 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.568 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 76.7 t -59.1 -36.55 63.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.458 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.78 -31.54 72.53 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.534 ' HE1' HD12 ' A' ' 12' ' ' ILE . 4.7 ttp -57.59 -38.4 74.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.476 -178.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.721 ' OD1' ' N ' ' B' ' 87' ' ' ASN . 32.1 p-10 -60.21 -42.36 94.98 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 119.184 -1.007 . . . . 0.0 109.716 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.721 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 93.6 m-20 -63.61 -38.43 91.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.714 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.17 -40.79 91.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.146 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.26 -38.94 63.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.305 -0.862 . . . . 0.0 109.999 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.25 -34.88 61.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.531 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.14 -32.45 72.16 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.552 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -99.51 120.28 39.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.42 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.56 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' B' ' 40' ' ' GLU . 53.2 p . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.658 0.266 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -61.91 -37.72 85.68 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.771 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 tp -61.41 -43.13 99.41 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.035 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.39 -42.31 88.07 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.048 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.6 m -61.61 -42.8 99.39 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.826 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -67.09 -41.53 86.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.927 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.528 ' CG ' HG23 ' B' ' 82' ' ' THR . 63.0 ttp -63.19 -44.6 94.92 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.34 -31.52 67.66 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.098 0.475 . . . . 0.0 110.15 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.443 HG21 ' HB2' ' B' ' 7' ' ' ALA . 37.4 m -56.3 -36.23 68.42 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.821 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.11 -42.63 98.88 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.721 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.9 mt -66.13 -44.34 91.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.001 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -61.28 -41.52 97.08 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.413 -0.515 . . . . 0.0 112.035 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -73.95 -38.76 50.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.567 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.56 ' CE1' HD22 ' A' ' 28' ' ' LEU . 65.3 t80 -63.25 -49.47 74.01 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.422 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.47 -46.87 84.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.196 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.66 87.44 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 120.059 -0.657 . . . . 0.0 111.515 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.609 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 85.7 t60 -64.22 -47.45 79.63 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.581 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.5 p -63.39 -35.68 81.19 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.033 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.55 -40.22 94.15 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.336 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -59.92 -41.99 92.95 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.541 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -127.67 151.5 48.88 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.928 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.08 -162.73 42.58 Favored Glycine 0 C--N 1.332 0.355 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -71.47 136.93 47.83 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -61.3 -39.56 90.92 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.432 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -68.01 -33.81 75.32 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -115.68 146.68 41.63 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 15' ' ' PHE . 17.5 tp -107.18 131.78 53.78 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.02 178.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -104.62 151.84 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.77 -37.93 71.78 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.709 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -55.19 -40.7 71.02 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 118.86 -1.136 . . . . 0.0 108.006 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.609 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 96.5 mt-10 -67.67 -38.76 84.19 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.521 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.77 -46.28 85.98 Favored 'General case' 0 C--N 1.345 0.373 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -59.73 -43.99 93.96 Favored 'General case' 0 N--CA 1.433 -1.288 0 C-N-CA 119.423 -0.911 . . . . 0.0 110.635 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -64.06 -41.13 97.48 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.446 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.54 HD13 ' CG ' ' A' ' 18' ' ' HIS . 34.5 tp -65.34 -45.14 85.38 Favored 'General case' 0 CA--C 1.527 0.065 0 C-N-CA 119.906 -0.718 . . . . 0.0 112.253 -179.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -69.49 -42.73 74.39 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.823 -0.751 . . . . 0.0 112.143 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.37 -43.39 94.66 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 119.442 -0.903 . . . . 0.0 111.6 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -71.07 -42.48 69.33 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.51 -32.9 62.66 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -177.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.599 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 22.2 tp -100.14 123.69 44.68 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 119.654 -0.818 . . . . 0.0 112.011 -177.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.494 ' C ' ' N ' ' A' ' 44' ' ' PHE . 86.2 p -62.09 -27.51 68.96 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.782 0.801 . . . . 0.0 109.122 178.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.599 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -49.1 -14.29 0.45 Allowed Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 178.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.494 ' N ' ' C ' ' A' ' 42' ' ' SER . 86.8 t80 -51.47 -41.76 61.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.706 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.05 -42.08 84.66 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.055 -1.058 . . . . 0.0 108.89 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -67.35 -33.04 74.4 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.026 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.595 ' O ' ' C ' ' A' ' 48' ' ' GLN . . . -58.92 -33.27 70.38 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -175.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.621 ' O ' HG12 ' A' ' 51' ' ' VAL . 94.1 mt-30 15.82 -126.84 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 118.416 0.553 . . . . 0.0 111.604 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -59.02 -31.62 68.99 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.078 0.466 . . . . 0.0 110.371 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 47' ' ' ALA . 92.4 m-20 -55.42 -31.13 61.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.006 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.645 ' O ' HG12 ' A' ' 54' ' ' VAL . 6.0 p -52.31 -31.88 15.43 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.039 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.523 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.74 -36.29 67.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.996 0.427 . . . . 0.0 110.595 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -27.32 61.02 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.919 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.0 p -51.71 -37.45 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -64.8 -41.37 95.86 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.826 -0.749 . . . . 0.0 110.172 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.73 -39.95 95.68 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 54' ' ' VAL . 12.5 m -71.31 -30.82 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 120.031 -0.668 . . . . 0.0 112.334 -177.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.0 mmm -57.06 -37.98 72.6 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.856 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -60.78 -44.83 96.29 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.104 -0.639 . . . . 0.0 111.688 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.81 -41.03 79.23 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.322 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -67.55 -38.03 83.57 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 120.684 -0.406 . . . . 0.0 112.08 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.542 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 45.6 t0 -88.71 108.35 19.43 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.52 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.15 -34.68 78.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.456 0.646 . . . . 0.0 109.267 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -58.67 -39.14 79.81 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.037 -178.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.43 8.06 85.56 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 107.896 -2.081 . . . . 0.0 107.896 -177.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.663 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 44.5 p30 -63.27 -33.82 76.33 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 114.07 -1.065 . . . . 0.0 112.995 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.663 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.82 -6.02 66.93 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.51 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 59.2 mp0 -112.21 156.24 22.66 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.9 m -124.05 151.54 29.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 122.237 1.017 . . . . 0.0 113.275 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 55.9 t0 -104.3 163.27 12.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 113.369 -1.741 . . . . 0.0 108.646 178.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.494 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 74.1 t80 -51.2 -42.26 60.78 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.225 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -59.52 -41.93 91.1 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.167 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.415 ' O ' HG22 ' A' ' 76' ' ' VAL . 91.4 mt-10 -65.8 -38.41 88.89 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.876 -0.729 . . . . 0.0 110.065 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -61.78 -41.58 97.9 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.943 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.773 HG13 ' HB1' ' B' ' 79' ' ' ALA . 1.4 t -60.02 -45.02 95.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.03 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 73' ' ' GLU . 26.7 m -71.24 -34.85 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.986 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.78 HD13 ' C ' ' A' ' 77' ' ' LEU . 2.8 tm? -58.98 -44.79 91.62 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.047 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 m -72.83 -37.37 54.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.469 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.774 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -63.46 -43.31 97.7 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.821 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.39 99.78 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.641 0.734 . . . . 0.0 110.176 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.0 -39.37 94.57 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.52 -178.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.532 HG23 ' CG ' ' B' ' 8' ' ' MET . 43.5 m -54.75 -37.14 65.6 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.492 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 70.9 t -59.13 -34.1 52.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.968 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.1 -36.77 75.71 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.29 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.1 mmm -57.99 -38.01 75.31 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.634 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -59.69 -43.8 93.9 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.303 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -64.69 -45.98 84.33 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.116 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -67.41 -36.66 81.73 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.204 0.526 . . . . 0.0 111.502 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -53.99 -39.26 65.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.052 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.34 -34.67 61.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.07 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -57.56 -33.24 67.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.396 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -103.54 136.88 42.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.9 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.548 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -69.56 161.32 29.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.672 0.272 . . . . 0.0 110.381 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -61.92 -37.57 85.15 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.835 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 16.5 tp -61.49 -43.08 99.5 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.053 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.4 -42.35 87.99 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.073 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 41.3 m -61.52 -42.81 99.37 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.921 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.443 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -67.15 -41.39 86.11 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.968 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.532 ' CG ' HG23 ' A' ' 82' ' ' THR . 62.9 ttp -63.08 -44.81 94.72 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.3 -31.52 67.58 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.054 0.454 . . . . 0.0 110.105 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.446 HG21 ' HB2' ' A' ' 7' ' ' ALA . 36.7 m -56.23 -36.29 68.33 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.815 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.1 -42.64 98.9 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 118.532 -1.267 . . . . 0.0 110.764 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.08 -44.44 91.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.955 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -61.22 -41.56 97.07 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.436 -0.506 . . . . 0.0 112.032 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -73.87 -38.84 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 119.775 -0.77 . . . . 0.0 110.6 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.56 ' CE1' HD22 ' B' ' 28' ' ' LEU . 65.2 t80 -63.29 -49.38 74.24 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.359 178.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.59 -46.87 83.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.165 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.73 87.53 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.602 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.616 ' NE2' ' O ' ' B' ' 32' ' ' GLU . 85.7 t60 -64.17 -47.45 79.8 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.633 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 82.6 p -63.39 -35.7 81.27 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.952 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.16 94.06 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 121.1 -0.572 . . . . 0.0 112.331 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -59.95 -41.97 93.02 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.545 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -127.68 151.52 48.85 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.921 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.11 -162.73 42.69 Favored Glycine 0 C--N 1.331 0.305 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 178.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.46 136.96 47.86 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -61.24 -39.64 91.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.208 0.528 . . . . 0.0 110.425 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -68.0 -33.86 75.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -115.72 146.69 41.66 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' B' ' 15' ' ' PHE . 17.6 tp -107.16 131.75 53.8 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.005 178.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -104.6 151.94 23.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.91 -37.91 72.09 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 118.996 -1.081 . . . . 0.0 110.697 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -55.11 -40.73 70.79 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 118.805 -1.158 . . . . 0.0 108.014 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.616 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 96.4 mt-10 -67.66 -38.76 84.23 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.506 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.82 -46.25 85.93 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -59.73 -44.02 93.96 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.556 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -64.12 -41.06 97.37 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.454 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.542 HD13 ' CG ' ' B' ' 18' ' ' HIS . 35.0 tp -65.44 -45.05 85.34 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 119.852 -0.739 . . . . 0.0 112.237 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -69.63 -42.58 74.12 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.789 -0.765 . . . . 0.0 112.138 -179.783 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.47 -43.28 94.7 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.669 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.6 m -71.2 -42.37 69.08 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.439 ' O ' ' OG ' ' A' ' 2' ' ' SER . 77.3 mm-40 -74.58 -32.8 62.5 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.612 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 22.2 tp -100.21 123.68 44.74 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 119.648 -0.821 . . . . 0.0 112.081 -177.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.504 ' C ' ' N ' ' B' ' 44' ' ' PHE . 86.2 p -62.11 -27.46 68.94 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.758 0.79 . . . . 0.0 109.084 178.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.612 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -49.05 -14.32 0.44 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 178.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.504 ' N ' ' C ' ' B' ' 42' ' ' SER . 86.5 t80 -51.46 -41.71 61.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.17 -42.03 85.12 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.875 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -67.32 -33.1 74.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.958 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.599 ' O ' ' C ' ' B' ' 48' ' ' GLN . . . -58.86 -33.31 70.33 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.627 ' O ' HG12 ' B' ' 51' ' ' VAL . 94.1 mt-30 15.8 -126.74 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.398 0.544 . . . . 0.0 111.601 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -59.11 -31.56 69.04 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.054 0.454 . . . . 0.0 110.382 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' B' ' 47' ' ' ALA . 92.3 m-20 -55.44 -31.04 61.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.986 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.642 ' O ' HG12 ' B' ' 54' ' ' VAL . 6.1 p -52.41 -31.9 15.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.447 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.75 -36.29 67.14 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.921 0.391 . . . . 0.0 110.469 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.96 -27.22 60.99 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.943 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.642 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.0 p -51.86 -37.41 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -64.73 -41.32 96.03 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.323 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -62.73 -39.99 95.8 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.407 HG22 ' O ' ' B' ' 54' ' ' VAL . 12.2 m -71.24 -30.81 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 120.105 -0.638 . . . . 0.0 112.356 -177.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.9 mmm -57.13 -37.97 72.78 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.869 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -60.75 -44.86 96.18 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.665 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.72 -41.18 79.42 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.366 -0.533 . . . . 0.0 112.293 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -67.43 -38.04 83.93 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.669 -0.413 . . . . 0.0 112.112 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.544 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 45.8 t0 -88.68 108.28 19.38 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.561 -179.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.19 -34.62 77.91 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -58.65 -39.16 79.8 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.105 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.48 8.08 85.67 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 107.873 -2.091 . . . . 0.0 107.873 -177.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.67 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 44.6 p30 -63.33 -33.82 76.35 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 114.042 -1.079 . . . . 0.0 112.961 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.67 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.85 -5.96 66.8 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.484 -1.447 . . . . 0.0 109.484 -178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.525 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 59.2 mp0 -112.27 156.23 22.74 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.3 m -124.06 151.57 29.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 122.271 1.034 . . . . 0.0 113.264 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 55.9 t0 -104.3 163.28 12.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 113.357 -1.747 . . . . 0.0 108.615 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.52 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 73.8 t80 -51.14 -42.36 60.69 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.184 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -59.54 -41.87 91.03 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.214 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.407 ' O ' HG22 ' B' ' 76' ' ' VAL . 91.4 mt-10 -65.66 -38.64 89.89 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.12 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -61.64 -41.56 97.67 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.021 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.774 HG13 ' HB1' ' A' ' 79' ' ' ALA . 1.4 t -60.0 -45.0 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.042 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.407 HG22 ' O ' ' B' ' 73' ' ' GLU . 26.8 m -71.24 -34.9 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 119.528 -0.869 . . . . 0.0 110.029 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.788 HD13 ' C ' ' B' ' 77' ' ' LEU . 2.8 tm? -58.89 -44.88 91.25 Favored 'General case' 0 C--N 1.339 0.121 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.091 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.0 m -72.83 -37.36 54.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 119.766 -0.773 . . . . 0.0 111.412 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.773 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -63.41 -43.36 97.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.39 99.81 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.698 0.761 . . . . 0.0 110.164 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.94 -39.36 94.38 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.609 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.528 HG23 ' CG ' ' A' ' 8' ' ' MET . 43.6 m -54.67 -37.19 65.43 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.537 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.0 -34.25 52.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.006 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.07 -36.71 75.53 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.288 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 89.1 mmm -57.98 -38.05 75.35 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.649 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -59.6 -43.9 93.58 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.333 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -64.65 -46.0 84.39 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.132 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -67.24 -36.75 82.3 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.216 0.532 . . . . 0.0 111.537 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -54.08 -39.26 66.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.967 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.3 -34.62 61.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.088 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -57.58 -33.27 68.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.368 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.59 137.0 42.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.554 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 m . . . . . 0 C--O 1.235 0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.56 -37.52 84.1 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.732 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.0 tp -60.96 -42.52 98.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.843 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.59 ' OE2' ' N ' ' B' ' 42' ' ' SER . 97.4 mt-10 -67.4 -39.57 85.57 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.829 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -61.41 -43.39 98.95 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.919 -0.712 . . . . 0.0 110.677 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.65 -42.0 78.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.449 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.524 ' CG ' HG23 ' B' ' 82' ' ' THR . 63.7 ttp -62.95 -44.06 97.09 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -178.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.53 ' OE1' HD12 ' A' ' 12' ' ' ILE . 76.6 mm-40 -58.84 -31.18 68.27 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 120.926 0.393 . . . . 0.0 110.102 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.8 m -56.14 -36.35 68.17 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.252 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.4 mt -60.95 -40.64 94.09 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.606 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.53 HD12 ' OE1' ' A' ' 9' ' ' GLU . 80.6 mt -63.58 -47.6 90.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.503 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -60.89 -40.97 95.07 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.566 -0.453 . . . . 0.0 112.176 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -73.22 -38.75 55.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.013 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -61.93 -51.8 66.65 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 119.591 -0.843 . . . . 0.0 110.697 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -65.18 -45.47 84.72 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 113.024 0.749 . . . . 0.0 113.024 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.13 -52.42 55.38 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.656 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.576 ' CG ' HD13 ' A' ' 36' ' ' LEU . 90.6 m-70 -63.35 -45.03 93.08 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.119 -0.633 . . . . 0.0 111.841 179.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.499 ' O ' ' O ' ' A' ' 22' ' ' GLU . 86.4 p -63.58 -35.04 79.18 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.709 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.27 -40.61 94.79 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.68 -38.45 81.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.38 -0.41 . . . . 0.0 111.737 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.499 ' O ' ' O ' ' A' ' 19' ' ' SER . 77.6 mm-40 -116.19 152.69 33.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.072 0.463 . . . . 0.0 111.627 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 22' ' ' GLU . . . 39.79 -161.83 0.01 OUTLIER Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.459 ' O ' ' O ' ' A' ' 27' ' ' LYS . 88.4 m-20 -70.76 136.08 48.64 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.418 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -60.53 -39.32 87.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.076 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -64.18 -33.5 75.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.926 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 24' ' ' ASP . 85.6 mttt -116.47 143.08 46.04 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.59 0.709 . . . . 0.0 112.119 -179.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.556 HD12 ' OE1' ' A' ' 32' ' ' GLU . 14.4 tp -106.62 131.05 54.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.724 178.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 t -101.86 147.27 26.71 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -55.99 -36.35 67.78 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 118.685 -1.206 . . . . 0.0 110.023 -178.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -55.53 -40.79 72.27 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 118.722 -1.191 . . . . 0.0 108.097 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.556 ' OE1' HD12 ' A' ' 28' ' ' LEU . 96.8 mt-10 -65.92 -36.67 84.02 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.64 -45.75 88.8 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.484 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.53 -43.79 93.36 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 118.817 -1.153 . . . . 0.0 110.401 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.88 -41.31 87.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.087 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD13 ' CG ' ' A' ' 18' ' ' HIS . 38.7 tp -65.8 -47.26 75.71 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.065 -0.654 . . . . 0.0 112.066 -178.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.561 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -70.28 -40.76 74.14 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.146 -0.621 . . . . 0.0 111.647 179.569 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.526 HE21 ' HB1' ' A' ' 47' ' ' ALA . 46.8 tt0 -63.46 -46.71 84.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.272 -178.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -71.66 -43.88 65.26 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.75 -33.02 62.26 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.555 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.2 tp -99.52 140.24 33.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.276 0.56 . . . . 0.0 111.954 -177.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.604 ' O ' ' N ' ' A' ' 44' ' ' PHE . 24.0 t -51.57 -26.62 9.01 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.555 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -45.49 -8.93 0.02 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.604 ' N ' ' O ' ' A' ' 42' ' ' SER . 48.1 t80 -48.71 -42.5 35.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.42 -36.67 78.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.44 0.638 . . . . 0.0 109.366 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' GLY . 58.8 t0 -80.23 10.91 3.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.922 -1.036 . . . . 0.0 110.739 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.537 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -61.69 -10.38 8.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.466 -178.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.604 ' O ' HG22 ' A' ' 51' ' ' VAL . 94.0 mt-30 -49.34 -162.85 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.382 0.61 . . . . 0.0 111.951 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -54.73 -20.64 8.78 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.352 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -53.58 -33.42 54.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.27 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 54' ' ' VAL . 22.5 m -57.61 -17.05 6.6 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.78 -178.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -56.2 -35.86 67.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.137 0.494 . . . . 0.0 109.76 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.16 -26.95 61.42 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.881 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.7 p -52.13 -36.85 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.318 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.47 -42.1 98.6 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.215 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.01 -39.92 95.18 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -71.36 -30.1 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.0 mmm -55.05 -35.68 64.76 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -58.33 -41.98 85.78 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.959 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.12 -40.02 86.75 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.428 -0.509 . . . . 0.0 112.275 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -67.74 -38.13 83.09 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.469 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -91.18 70.78 6.22 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.386 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.91 -35.1 77.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.642 HD21 ' CG ' ' A' ' 66' ' ' ASP . 43.2 p-10 -64.62 -31.22 72.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.91 178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.58 11.2 69.01 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.119 -0.562 . . . . 0.0 111.934 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.667 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 56.8 p30 -61.28 -34.66 75.56 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.667 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 91.76 -0.34 73.32 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -178.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.456 ' H ' ' CG ' ' A' ' 66' ' ' ASP . 96.0 mt-10 -113.62 158.09 21.27 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.624 -0.788 . . . . 0.0 109.376 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -106.18 131.96 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.285 0.564 . . . . 0.0 110.679 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -100.99 157.52 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.132 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -52.78 -41.31 63.98 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.456 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.407 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.8 tt0 -59.05 -41.55 88.14 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.374 178.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' HG22 ' A' ' 76' ' ' VAL . 96.2 mt-10 -67.86 -38.45 83.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.408 0.623 . . . . 0.0 110.422 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -63.06 -46.06 89.25 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.4 p -60.56 -39.84 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.959 -178.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.3 m -74.84 -33.05 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 120.231 -0.588 . . . . 0.0 109.506 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.62 -44.43 89.95 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.688 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.57 -33.87 46.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.158 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.99 86.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.73 93.75 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.298 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.95 -37.46 87.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.03 0.443 . . . . 0.0 110.171 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.538 HG23 ' CG ' ' B' ' 8' ' ' MET . 55.0 m -54.18 -37.08 64.09 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.499 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.32 -35.54 58.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.776 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.33 88.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.499 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.48 -40.07 77.78 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -58.69 -43.81 90.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.373 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -63.03 -41.37 99.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.576 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -65.99 -35.1 79.66 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.659 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -53.17 -39.3 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.919 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -54.54 -35.09 62.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.735 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.53 -32.39 72.44 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.486 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -102.53 136.59 42.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.606 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.597 -179.896 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -62.79 153.93 31.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.563 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.8 -37.34 84.01 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.686 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 19.1 tp -60.98 -42.55 98.58 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.781 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.583 ' OE2' ' N ' ' A' ' 42' ' ' SER . 97.4 mt-10 -67.49 -39.45 85.21 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.727 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.3 m -61.5 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.629 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.64 -41.98 78.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.414 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.538 ' CG ' HG23 ' A' ' 82' ' ' THR . 63.7 ttp -63.02 -44.02 97.11 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.528 ' OE1' HD12 ' B' ' 12' ' ' ILE . 76.6 mm-40 -58.82 -31.22 68.27 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.005 0.431 . . . . 0.0 110.153 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.6 m -56.17 -36.27 68.14 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.355 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.94 -40.68 94.19 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.213 -0.995 . . . . 0.0 110.601 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.528 HD12 ' OE1' ' B' ' 9' ' ' GLU . 81.0 mt -63.63 -47.53 90.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.486 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.88 -40.87 94.65 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.51 -0.476 . . . . 0.0 112.234 -178.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 m -73.35 -38.67 54.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 119.992 -0.683 . . . . 0.0 111.008 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -61.88 -51.92 66.23 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.617 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -65.06 -45.6 84.67 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -52.48 55.78 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 119.801 -0.76 . . . . 0.0 111.731 -178.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.582 ' CG ' HD13 ' B' ' 36' ' ' LEU . 90.7 m-70 -63.29 -45.08 93.08 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.903 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.502 ' O ' ' O ' ' B' ' 22' ' ' GLU . 86.6 p -63.55 -35.09 79.34 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.751 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.22 -40.57 94.87 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -59.61 -38.53 81.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.478 -0.361 . . . . 0.0 111.745 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' B' ' 19' ' ' SER . 77.8 mm-40 -116.2 152.72 33.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.038 0.447 . . . . 0.0 111.595 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' B' ' 22' ' ' GLU . . . 39.74 -161.89 0.01 OUTLIER Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.469 ' O ' ' O ' ' B' ' 27' ' ' LYS . 88.5 m-20 -70.79 136.1 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.428 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -60.53 -39.31 87.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.064 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -64.2 -33.43 75.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.939 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' B' ' 24' ' ' ASP . 85.8 mttt -116.51 143.16 45.94 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.591 0.71 . . . . 0.0 112.045 -179.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.56 HD12 ' OE1' ' B' ' 32' ' ' GLU . 14.5 tp -106.69 131.04 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.662 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.6 t -101.88 147.31 26.67 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -55.85 -36.37 67.46 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 118.662 -1.215 . . . . 0.0 110.135 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -55.55 -40.64 72.16 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 118.706 -1.198 . . . . 0.0 108.168 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.56 ' OE1' HD12 ' B' ' 28' ' ' LEU . 96.8 mt-10 -65.98 -36.7 84.03 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.72 -45.64 89.03 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.517 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -59.65 -43.75 93.77 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 118.82 -1.152 . . . . 0.0 110.362 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.92 -41.33 87.23 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.059 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.582 HD13 ' CG ' ' B' ' 18' ' ' HIS . 38.5 tp -65.66 -47.36 75.81 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 120.048 -0.661 . . . . 0.0 112.097 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -70.16 -40.75 74.53 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.742 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.534 HE21 ' HB1' ' B' ' 47' ' ' ALA . 46.7 tt0 -63.42 -46.67 85.27 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.956 -0.697 . . . . 0.0 111.288 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.1 m -71.74 -43.94 64.95 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.72 -33.0 62.3 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.553 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.3 tp -99.67 140.31 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.293 0.568 . . . . 0.0 111.86 -177.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.61 ' O ' ' N ' ' B' ' 44' ' ' PHE . 23.9 t -51.67 -26.56 9.37 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.553 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -45.51 -8.91 0.02 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.61 ' N ' ' O ' ' B' ' 42' ' ' SER . 48.2 t80 -48.74 -42.44 35.32 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.37 -36.74 78.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.406 0.622 . . . . 0.0 109.368 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' B' ' 43' ' ' GLY . 58.8 t0 -80.25 10.99 3.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.788 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.534 ' HB1' HE21 ' B' ' 38' ' ' GLN . . . -61.74 -10.34 8.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.473 -178.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.603 ' O ' HG22 ' B' ' 51' ' ' VAL . 94.0 mt-30 -49.36 -162.76 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.369 0.604 . . . . 0.0 111.992 -179.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -54.79 -20.73 9.17 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.373 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.43 -33.49 54.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.324 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.674 ' O ' HG12 ' B' ' 54' ' ' VAL . 22.6 m -57.53 -17.11 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.745 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -56.19 -35.87 67.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.119 0.485 . . . . 0.0 109.774 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.16 -26.87 61.29 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.858 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.674 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.6 p -52.15 -36.95 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.279 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.47 -42.0 98.59 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.32 -0.952 . . . . 0.0 110.194 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.13 -39.74 94.68 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -71.43 -30.18 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 92.9 mmm -55.03 -35.64 64.65 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -58.36 -42.04 86.08 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.984 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.05 -40.03 87.05 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.277 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.562 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 0.5 OUTLIER -67.72 -38.18 83.23 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.485 179.8 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -91.08 70.76 6.31 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.471 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.89 -35.14 77.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.66 HD21 ' CG ' ' B' ' 66' ' ' ASP . 43.5 p-10 -64.61 -31.19 72.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.949 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.62 11.05 69.16 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 121.059 -0.591 . . . . 0.0 111.906 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.66 ' CG ' HD21 ' B' ' 64' ' ' ASN . 56.7 p30 -61.12 -34.71 75.41 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.657 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 91.82 -0.32 73.1 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.46 ' H ' ' CG ' ' B' ' 66' ' ' ASP . 96.1 mt-10 -113.68 158.18 21.22 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 114.602 -0.799 . . . . 0.0 109.332 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -106.25 131.97 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.365 0.602 . . . . 0.0 110.532 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -101.02 157.46 16.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.215 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -52.71 -41.32 63.81 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.481 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.404 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.7 tt0 -58.99 -41.64 88.1 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.435 178.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.407 ' O ' HG22 ' B' ' 76' ' ' VAL . 96.2 mt-10 -67.9 -38.42 82.96 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.403 178.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -63.04 -46.12 89.05 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.404 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.3 p -60.58 -39.78 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.964 -178.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.407 HG22 ' O ' ' B' ' 73' ' ' GLU . 33.3 m -74.84 -33.02 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 120.281 -0.568 . . . . 0.0 109.577 178.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.62 -44.52 89.98 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.685 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.55 -33.76 45.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.199 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.01 87.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.655 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.91 94.27 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.333 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.84 -37.48 87.54 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.212 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.524 HG23 ' CG ' ' A' ' 8' ' ' MET . 55.7 m -54.14 -37.23 64.14 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 87.7 t -59.1 -35.65 58.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.874 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.23 88.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.452 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.46 -40.18 77.96 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -58.57 -43.86 89.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.39 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -63.03 -41.38 99.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.567 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -65.99 -35.07 79.59 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.646 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.29 -39.23 63.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.826 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -54.54 -35.06 62.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.778 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.53 -32.38 72.43 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.501 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -102.55 136.66 41.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.515 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.607 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' B' ' 40' ' ' GLU . 61.7 m . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.814 0.34 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.92 -36.36 81.12 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.888 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.2 tp -60.38 -42.96 96.96 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.224 0.535 . . . . 0.0 109.833 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.85 -42.24 86.05 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -61.48 -43.17 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.032 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.0 -41.3 82.48 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.969 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.48 ' CG ' HG23 ' B' ' 82' ' ' THR . 63.8 ttp -62.51 -43.15 99.52 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.69 -31.28 68.08 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.277 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.5 m -55.99 -36.14 67.54 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.267 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.15 -40.6 94.47 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.972 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.9 -48.17 85.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.407 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -61.28 -41.28 96.68 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.538 -0.465 . . . . 0.0 112.253 -178.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.613 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 18.0 m -72.5 -39.31 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.381 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.86 -46.2 90.03 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.892 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.02 -49.34 75.0 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.933 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -45.86 83.63 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.706 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 74.6 m-70 -61.7 -46.21 90.65 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.239 -0.585 . . . . 0.0 111.32 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.5 p -63.79 -36.55 84.27 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.231 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.08 -39.15 96.12 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.867 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -59.61 -41.3 90.08 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.467 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -125.12 149.86 47.45 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.946 0.403 . . . . 0.0 111.799 -179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.84 -154.51 4.77 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.481 ' O ' ' O ' ' A' ' 27' ' ' LYS . 88.5 m-20 -74.47 133.53 42.36 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.173 179.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.05 -40.93 95.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.244 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -65.67 -32.87 74.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.05 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' A' ' 24' ' ' ASP . 94.8 mttt -116.37 143.02 46.08 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 112.497 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -108.1 132.05 53.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.068 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.9 t -102.29 150.39 23.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.685 0.279 . . . . 0.0 110.486 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -54.35 -40.45 68.09 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.112 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -60.04 -42.31 94.17 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.622 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.467 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 97.3 mt-10 -65.81 -38.22 88.37 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.156 0.503 . . . . 0.0 110.184 178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.9 tp -62.15 -42.76 99.56 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.596 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.64 ' HZ3' HG21 ' A' ' 54' ' ' VAL . 12.4 tppt? -62.23 -47.47 84.25 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.054 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -63.83 -39.47 94.29 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.144 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 18' ' ' HIS . 14.7 tp -67.51 -56.83 7.96 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 tp -68.8 -40.86 79.38 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.714 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.541 HE21 ' HA ' ' A' ' 44' ' ' PHE . 49.2 tp60 -62.7 -44.89 95.06 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.714 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.7 m -70.93 -44.37 66.29 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 113.242 0.831 . . . . 0.0 113.242 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.47 ' O ' ' OG ' ' B' ' 2' ' ' SER . 77.1 mm-40 -75.1 -30.7 60.96 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 16.9 tp -94.5 139.73 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.069 0.461 . . . . 0.0 111.307 -177.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.589 ' O ' ' N ' ' A' ' 44' ' ' PHE . 23.8 t -52.64 -27.37 16.89 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.51 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -45.58 -10.53 0.02 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.589 ' N ' ' O ' ' A' ' 42' ' ' SER . 62.0 t80 -50.24 -41.84 50.86 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.086 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.1 mt -59.96 -32.67 71.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.852 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.659 ' C ' ' H ' ' A' ' 48' ' ' GLN . 89.0 m-20 -81.42 9.52 7.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.716 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.22 18.85 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.659 ' H ' ' C ' ' A' ' 46' ' ' ASP . 93.8 mt-30 -71.38 -165.8 0.16 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.975 0.417 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -56.73 -24.11 47.31 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.626 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -51.49 -32.75 28.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.601 ' O ' HG12 ' A' ' 54' ' ' VAL . 42.9 t -49.83 -40.34 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.149 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.81 -35.42 66.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.97 0.414 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.4 -26.89 54.68 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.982 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.64 HG21 ' HZ3' ' A' ' 34' ' ' LYS . 5.4 p -51.73 -36.81 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.967 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 54' ' ' VAL . 56.6 t0 -65.8 -45.22 83.2 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.357 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -63.34 -41.1 98.85 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.1 m -72.51 -29.58 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.747 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.8 ttt -54.51 -39.91 68.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.798 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -60.29 -39.36 86.65 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.325 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.05 -42.25 94.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.531 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.31 -38.83 85.59 Favored 'General case' 0 CA--C 1.521 -0.138 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.337 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.525 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 64.3 t0 -90.91 110.3 21.53 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.564 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.35 -33.49 75.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.15 0.5 . . . . 0.0 110.176 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -57.06 -39.05 74.16 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.066 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.99 4.51 67.61 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 108.126 -1.99 . . . . 0.0 108.126 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.8 p30 -63.58 -33.54 75.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.316 -0.942 . . . . 0.0 112.865 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.653 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.23 -0.06 63.64 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -102.83 143.55 32.3 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.56 132.49 49.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-O 121.683 0.754 . . . . 0.0 112.262 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 58.2 t0 -109.4 155.51 21.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.376 -1.284 . . . . 0.0 108.992 178.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.489 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 81.8 t80 -52.39 -41.34 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.12 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.47 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.6 tt0 -57.8 -40.47 80.0 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.064 -0.655 . . . . 0.0 110.291 178.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.49 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 95.1 mt-10 -67.28 -38.32 84.87 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.282 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.69 -45.19 91.18 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.532 HG13 ' HB1' ' B' ' 79' ' ' ALA . 3.2 p -60.35 -39.2 80.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.769 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 73' ' ' GLU . 28.4 m -76.26 -33.48 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.159 -0.617 . . . . 0.0 109.965 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.436 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 9.6 tt -60.97 -41.66 96.81 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 75' ' ' VAL . 22.2 m -72.37 -32.45 42.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 CA-C-O 121.319 0.581 . . . . 0.0 110.745 179.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.534 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -61.31 -36.66 80.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.934 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.44 94.07 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.581 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.495 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.5 mp -65.3 -37.32 86.78 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.126 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.471 HG23 ' CG ' ' B' ' 8' ' ' MET . 58.3 m -53.75 -37.4 63.34 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.377 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.4 t -59.77 -34.52 55.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.391 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.61 77.15 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.195 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.4 mmm -60.48 -37.25 80.46 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.924 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -59.63 -45.46 91.9 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.912 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -66.58 -44.46 82.17 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.121 0.486 . . . . 0.0 111.537 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -62.82 -42.56 99.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.03 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -53.02 -39.26 63.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.158 -177.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.77 -35.21 63.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.518 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.05 -32.83 73.39 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.607 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -100.84 120.58 40.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.616 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.551 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 61.3 m -62.65 153.4 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.793 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.78 -36.49 81.23 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.879 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 19.3 tp -60.32 -43.1 96.69 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.735 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.68 -42.38 86.61 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 42.8 m -61.4 -43.17 99.34 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.911 -0.715 . . . . 0.0 111.096 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.3 82.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.471 ' CG ' HG23 ' A' ' 82' ' ' THR . 63.9 ttp -62.53 -43.13 99.56 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.54 -31.54 68.04 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.038 0.447 . . . . 0.0 110.246 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.7 m -55.87 -36.16 67.3 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.336 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.14 -40.62 94.52 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.244 -0.983 . . . . 0.0 110.927 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -64.8 -48.18 85.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.415 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.35 -41.21 96.68 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.515 -0.474 . . . . 0.0 112.251 -178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.607 ' O ' ' CD2' ' B' ' 18' ' ' HIS . 18.1 m -72.37 -39.5 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 119.827 -0.749 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.78 -46.21 89.88 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 119.925 -0.71 . . . . 0.0 109.9 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.04 -49.37 74.83 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.869 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.97 83.47 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.685 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' B' ' 14' ' ' VAL . 74.3 m-70 -61.71 -46.21 90.63 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.265 -0.574 . . . . 0.0 111.275 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.6 p -63.88 -36.41 83.82 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.941 -0.704 . . . . 0.0 110.24 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.24 96.04 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.804 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -59.54 -41.32 89.77 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.461 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -125.16 149.84 47.52 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.026 0.441 . . . . 0.0 111.756 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.86 -154.51 4.8 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.484 ' O ' ' O ' ' B' ' 27' ' ' LYS . 88.9 m-20 -74.53 133.55 42.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.062 179.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.1 -40.82 95.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.291 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -65.62 -32.9 74.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.102 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' B' ' 24' ' ' ASP . 94.9 mttt -116.49 142.89 46.28 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.584 0.706 . . . . 0.0 112.459 -178.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 tp -108.04 132.14 53.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.034 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 26.8 t -102.31 150.46 23.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.693 0.282 . . . . 0.0 110.477 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -54.36 -40.51 68.16 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.085 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -60.02 -42.29 94.02 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.642 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.461 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 97.2 mt-10 -65.8 -38.33 88.68 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.08 0.467 . . . . 0.0 110.112 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.17 -42.52 99.35 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.671 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.67 ' HZ3' HG21 ' B' ' 54' ' ' VAL . 12.4 tppt? -62.52 -47.39 84.13 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.983 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -63.78 -39.54 94.52 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.129 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.475 HD13 ' CG ' ' B' ' 18' ' ' HIS . 14.9 tp -67.42 -56.85 7.98 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 tp -68.79 -40.85 79.39 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.719 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.534 HE21 ' HA ' ' B' ' 44' ' ' PHE . 49.3 tp60 -62.77 -44.9 94.96 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.659 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.9 m -70.94 -44.43 66.12 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.485 ' O ' ' OG ' ' A' ' 2' ' ' SER . 77.0 mm-40 -75.04 -30.68 61.12 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.518 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 16.9 tp -94.46 139.7 30.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.11 0.481 . . . . 0.0 111.307 -177.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.596 ' O ' ' N ' ' B' ' 44' ' ' PHE . 23.6 t -52.64 -27.37 16.89 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.518 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -45.61 -10.52 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.111 -1.196 . . . . 0.0 110.111 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.596 ' N ' ' O ' ' B' ' 42' ' ' SER . 62.0 t80 -50.19 -41.84 50.19 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.077 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.09 -32.54 71.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.816 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.669 ' C ' ' H ' ' B' ' 48' ' ' GLN . 88.9 m-20 -81.43 9.52 7.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.752 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.27 18.84 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.669 ' H ' ' C ' ' B' ' 46' ' ' ASP . 93.8 mt-30 -71.33 -165.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -56.77 -24.1 47.84 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.62 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -51.46 -32.78 28.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.606 ' O ' HG12 ' B' ' 54' ' ' VAL . 43.2 t -49.84 -40.33 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.189 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.76 -35.44 66.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.015 0.436 . . . . 0.0 110.776 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.51 -26.78 55.5 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.971 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.67 HG21 ' HZ3' ' B' ' 34' ' ' LYS . 5.4 p -51.72 -36.96 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.925 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.428 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 56.4 t0 -65.66 -45.19 83.91 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.446 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -63.43 -41.02 98.67 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 21.2 m -72.55 -29.52 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.771 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.9 ttt -54.53 -39.95 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -60.21 -39.37 86.36 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.357 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.13 -42.24 94.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.514 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 70.4 mt -67.24 -38.88 85.91 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.311 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 64.3 t0 -90.93 110.33 21.57 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.613 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.35 -33.5 75.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 0.0 110.218 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -56.9 -39.26 74.09 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.065 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.03 4.54 67.88 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 108.204 -1.958 . . . . 0.0 108.204 -177.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.656 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.7 p30 -63.58 -33.45 75.63 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 114.214 -0.993 . . . . 0.0 112.952 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.656 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.23 -0.1 63.68 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -178.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -102.82 143.6 32.24 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.57 132.49 49.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 121.764 0.792 . . . . 0.0 112.21 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 58.2 t0 -109.4 155.46 21.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.276 -1.329 . . . . 0.0 108.995 178.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.485 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 82.3 t80 -52.27 -41.4 62.82 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.739 -0.784 . . . . 0.0 110.117 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.465 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.6 tt0 -57.82 -40.38 79.87 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.327 179.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.492 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 95.1 mt-10 -67.36 -38.31 84.59 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.303 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.63 -45.36 90.63 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.534 HG13 ' HB1' ' A' ' 79' ' ' ALA . 3.0 p -60.23 -39.17 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 119.954 -0.699 . . . . 0.0 110.907 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 73' ' ' GLU . 28.3 m -76.26 -33.52 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.967 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' B' ' 81' ' ' LEU . 9.6 tt -60.86 -41.73 96.47 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.925 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.404 HG22 ' O ' ' B' ' 75' ' ' VAL . 21.9 m -72.29 -32.4 42.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 121.419 0.628 . . . . 0.0 110.882 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.532 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -61.31 -36.66 80.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.97 -179.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.5 93.89 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.563 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.496 HD12 ' H ' ' B' ' 81' ' ' LEU . 6.5 mp -65.29 -37.27 86.66 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.101 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.48 HG23 ' CG ' ' A' ' 8' ' ' MET . 58.7 m -53.81 -37.38 63.48 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.393 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.1 t -59.73 -34.49 55.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.405 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.03 -37.64 77.42 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.118 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 89.3 mmm -60.51 -37.3 80.68 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.92 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -59.57 -45.44 91.85 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.909 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -66.66 -44.49 81.7 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.14 0.495 . . . . 0.0 111.537 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -62.84 -42.48 99.75 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.051 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -53.06 -39.33 63.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.076 -177.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -54.59 -35.32 63.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.528 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.13 -32.75 73.37 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.574 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -100.95 120.63 40.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.598 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.511 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 C--O 1.234 0.243 0 CA-C-O 120.664 0.268 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.93 -38.21 87.59 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.641 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.52 -42.06 99.26 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 120.241 -0.584 . . . . 0.0 109.584 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.67 -41.57 99.15 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.616 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.0 m -63.75 -40.17 96.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.659 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.02 -43.9 90.93 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.367 -178.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.644 ' HB2' HG23 ' B' ' 82' ' ' THR . 15.5 ptp -64.71 -43.34 93.77 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 119.082 -1.047 . . . . 0.0 111.307 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -57.77 -31.94 67.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.066 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.4 m -56.03 -37.69 69.53 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.824 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.0 mt -62.9 -41.24 99.37 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.638 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.571 ' CG2' ' CE1' ' A' ' 16' ' ' HIS . 78.3 mt -64.89 -45.43 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.423 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -59.5 -43.16 93.43 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.711 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.437 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 23.3 m -72.59 -36.93 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.257 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.496 ' CE1' HD22 ' A' ' 28' ' ' LEU . 63.4 t80 -62.63 -49.14 76.35 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.086 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CE1' ' CG2' ' A' ' 12' ' ' ILE . 55.5 m170 -63.73 -48.49 76.84 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -51.42 59.1 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 119.83 -0.748 . . . . 0.0 111.973 -178.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.628 ' CG ' HD13 ' A' ' 36' ' ' LEU . 77.7 m80 -62.71 -46.57 87.48 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.68 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.479 ' O ' ' O ' ' A' ' 22' ' ' GLU . 20.8 t -60.34 -40.7 91.63 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.74 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.59 -35.89 92.49 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.948 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.94 -41.3 82.49 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.242 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.496 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -127.09 140.8 52.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.628 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.7 -166.04 53.36 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.388 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -73.0 141.99 47.73 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.86 -40.66 93.8 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.205 0.526 . . . . 0.0 110.625 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -68.0 -33.44 74.63 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -115.76 142.86 46.19 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -177.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' ' 15' ' ' PHE . 35.0 tp -108.24 132.31 53.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.748 177.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -104.28 151.94 22.81 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.449 ' HD2' HD23 ' A' ' 33' ' ' LEU . 26.3 tptp -55.89 -39.4 71.52 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.193 -179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -59.18 -41.9 89.56 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.001 -1.08 . . . . 0.0 109.151 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.496 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.9 mt-10 -65.89 -37.37 85.95 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.456 0.646 . . . . 0.0 109.781 178.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.449 HD23 ' HD2' ' A' ' 30' ' ' LYS . 18.7 tp -61.3 -42.06 98.03 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.658 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.585 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 85.6 mttt -60.54 -43.2 97.45 Favored 'General case' 0 CA--C 1.513 -0.469 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.918 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.51 -39.25 91.62 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.96 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.628 HD13 ' CG ' ' A' ' 18' ' ' HIS . 45.3 tp -64.75 -52.65 55.88 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.949 -0.7 . . . . 0.0 112.596 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.7 mt -71.22 -36.27 71.81 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.966 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.567 HE22 ' HB2' ' A' ' 47' ' ' ALA . 67.5 tp60 -60.23 -46.62 89.14 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.574 -0.85 . . . . 0.0 110.812 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.6 m -74.82 -44.96 46.5 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.442 ' O ' ' OG ' ' B' ' 2' ' ' SER . 78.4 mm-40 -75.39 -31.29 60.39 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -176.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.667 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 17.4 tp -95.25 131.97 40.74 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -175.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.629 ' O ' ' N ' ' A' ' 44' ' ' PHE . 24.7 m -54.7 -29.56 53.41 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.667 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -44.3 -9.76 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 114.301 -1.318 . . . . 0.0 109.824 178.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.629 ' N ' ' O ' ' A' ' 42' ' ' SER . 63.7 t80 -47.07 -44.08 20.63 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.472 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -64.44 -41.81 96.36 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.456 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 43' ' ' GLY . 54.8 t0 -62.8 -34.63 77.67 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.29 179.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.576 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -29.0 -67.89 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.234 -177.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.596 ' O ' HG12 ' A' ' 51' ' ' VAL . 94.2 mt-30 32.93 -161.89 0.0 OUTLIER 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.166 0.508 . . . . 0.0 111.204 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.449 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 25.5 pttm -58.96 -29.02 66.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.445 0.641 . . . . 0.0 109.335 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.76 -33.21 55.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.174 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 54' ' ' VAL . 6.2 p -52.85 -32.95 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.934 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.2 p30 -58.95 -32.39 69.57 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.642 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.662 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -56.95 -27.52 61.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.827 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.664 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.5 p -54.06 -35.64 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.103 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.585 ' OD1' ' NZ ' ' A' ' 34' ' ' LYS . 87.3 m-20 -67.41 -44.6 78.42 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 119.812 -0.755 . . . . 0.0 112.812 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -68.82 -42.8 76.74 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 54' ' ' VAL . 2.8 p -61.72 -31.23 50.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.821 -1.082 . . . . 0.0 112.057 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.6 ttt -52.52 -37.53 57.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.82 -40.0 82.85 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.07 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.49 -40.43 85.21 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.877 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 61' ' ' LEU . 7.4 mp -68.63 -38.11 80.26 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.572 ' OD2' ' N ' ' A' ' 65' ' ' GLY . 23.5 t70 -84.6 100.62 11.54 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 119.454 -0.898 . . . . 0.0 111.029 -179.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.36 -34.74 76.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.294 0.569 . . . . 0.0 110.446 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -57.38 -37.98 73.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.811 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.572 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 79.23 4.91 89.16 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 107.819 -2.112 . . . . 0.0 107.819 -177.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.674 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.9 p30 -63.25 -34.47 77.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.201 -0.999 . . . . 0.0 112.806 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.674 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 93.44 -0.26 68.06 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -111.92 153.28 26.96 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.256 -0.472 . . . . 0.0 109.765 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.6 t -108.02 133.7 52.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.443 0.64 . . . . 0.0 111.633 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 55.3 t0 -101.45 155.68 17.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.099 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.487 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 76.3 t80 -52.05 -42.77 63.4 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.44 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -59.06 -40.56 85.55 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.366 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.52 -38.4 90.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.343 0.592 . . . . 0.0 109.804 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -63.21 -41.08 99.09 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.242 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.746 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.9 OUTLIER -60.23 -45.69 95.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.751 -179.31 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.83 -33.85 53.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.913 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.9 tp -58.22 -48.84 79.12 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.91 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.81 -33.6 31.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.746 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -60.81 -40.17 91.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.408 -178.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.06 96.22 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.979 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.7 -37.5 87.57 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.248 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.619 HG23 ' HB2' ' B' ' 8' ' ' MET . 58.5 m -53.59 -38.38 63.88 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.245 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 80.1 t -61.44 -34.55 61.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.642 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.05 85.64 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.914 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.9 ttp -57.16 -39.63 75.63 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.485 -0.886 . . . . 0.0 108.741 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -59.03 -41.49 87.94 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.54 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.93 -43.42 98.66 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.501 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -64.63 -35.01 79.64 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.932 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.34 -39.43 64.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.298 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.25 -34.9 61.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.195 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.8 -33.63 68.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.35 137.18 42.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.494 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.587 179.927 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 90.3 p -107.68 151.68 25.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 0.0 110.488 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.84 -38.18 87.23 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.686 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.59 -42.05 99.33 Favored 'General case' 0 C--O 1.244 0.765 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.587 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.63 -41.54 99.08 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.676 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.1 m -63.79 -40.19 96.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.669 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.96 -43.97 90.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.356 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.619 ' HB2' HG23 ' A' ' 82' ' ' THR . 15.6 ptp -64.64 -43.43 93.69 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.326 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -57.67 -32.01 66.9 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.16 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.4 m -56.03 -37.67 69.51 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 120.229 -0.589 . . . . 0.0 109.922 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.78 -41.28 99.19 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.673 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.568 ' CG2' ' CE1' ' B' ' 16' ' ' HIS . 78.5 mt -64.89 -45.45 94.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.349 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -59.57 -43.12 93.69 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.611 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 m -72.56 -37.13 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.14 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.497 ' CE1' HD22 ' B' ' 28' ' ' LEU . 63.3 t80 -62.47 -49.11 76.69 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.192 179.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.568 ' CE1' ' CG2' ' B' ' 12' ' ' ILE . 55.6 m170 -63.78 -48.49 76.7 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.71 -51.53 58.6 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.963 -178.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.631 ' CG ' HD13 ' B' ' 36' ' ' LEU . 77.7 m80 -62.61 -46.67 87.22 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.173 -0.611 . . . . 0.0 111.656 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.484 ' O ' ' O ' ' B' ' 22' ' ' GLU . 20.8 t -60.34 -40.65 91.44 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.741 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.51 -35.99 92.61 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.956 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -57.94 -41.26 82.4 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.292 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.49 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -127.2 140.87 51.94 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.595 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.66 -166.03 53.32 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -73.05 142.06 47.62 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.91 -40.68 94.06 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.217 0.532 . . . . 0.0 110.585 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -67.88 -33.64 75.13 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -178.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -115.63 142.84 46.2 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.497 HD22 ' CE1' ' B' ' 15' ' ' PHE . 34.8 tp -108.18 132.35 53.72 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 114.408 -1.269 . . . . 0.0 108.835 177.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -104.33 151.91 22.88 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.444 ' HD2' HD23 ' B' ' 33' ' ' LEU . 26.3 tptp -55.81 -39.47 71.37 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.172 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -59.14 -41.89 89.36 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.165 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.49 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.9 mt-10 -65.94 -37.33 85.75 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.441 0.638 . . . . 0.0 109.789 178.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.444 HD23 ' HD2' ' B' ' 30' ' ' LYS . 18.5 tp -61.23 -42.1 98.02 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.641 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.592 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 85.5 mttt -60.55 -43.24 97.43 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.855 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.49 -39.24 91.67 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.965 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.631 HD13 ' CG ' ' B' ' 18' ' ' HIS . 45.2 tp -64.82 -52.49 56.51 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 119.826 -0.75 . . . . 0.0 112.657 -178.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.4 mt -71.32 -36.13 71.47 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 119.604 -0.838 . . . . 0.0 111.97 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.568 HE22 ' HB2' ' B' ' 47' ' ' ALA . 67.3 tp60 -60.3 -46.68 89.02 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.626 -0.83 . . . . 0.0 110.813 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 50.4 m -74.77 -44.96 46.9 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -75.36 -31.42 60.51 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -176.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.683 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 17.3 tp -95.18 132.02 40.58 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -175.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.618 ' O ' ' N ' ' B' ' 44' ' ' PHE . 24.5 m -54.78 -29.54 54.51 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.683 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -44.4 -9.66 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.865 178.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.618 ' N ' ' O ' ' B' ' 42' ' ' SER . 63.9 t80 -47.1 -44.06 20.97 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.466 HD13 ' O ' ' B' ' 45' ' ' LEU . 0.2 OUTLIER -64.48 -41.81 96.25 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.483 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' B' ' 47' ' ' ALA . 54.8 t0 -62.83 -34.59 77.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.33 179.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.594 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -29.02 -67.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.261 -177.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.594 ' O ' ' O ' ' B' ' 47' ' ' ALA . 94.2 mt-30 32.95 -161.96 0.0 OUTLIER 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 111.198 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.448 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 25.5 pttm -58.91 -28.94 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.382 0.61 . . . . 0.0 109.376 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.85 -33.23 55.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.155 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.669 ' O ' HG12 ' B' ' 54' ' ' VAL . 6.2 p -52.85 -32.89 18.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.955 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.2 p30 -59.06 -32.37 69.71 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.567 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.669 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -56.96 -27.47 61.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.879 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.669 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.5 p -54.06 -35.7 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.086 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.592 ' OD1' ' NZ ' ' B' ' 34' ' ' LYS . 87.2 m-20 -67.36 -44.57 78.65 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 119.77 -0.772 . . . . 0.0 112.841 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -68.88 -42.81 76.47 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.437 HG12 ' O ' ' B' ' 54' ' ' VAL . 2.8 p -61.59 -31.4 50.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.071 -177.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.5 ttt -52.43 -37.57 57.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.802 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -58.77 -40.06 82.84 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.072 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.45 -40.45 85.4 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.336 -0.545 . . . . 0.0 111.853 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.526 HD12 ' N ' ' B' ' 61' ' ' LEU . 7.4 mp -68.59 -38.11 80.38 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.587 ' OD2' ' N ' ' B' ' 65' ' ' GLY . 23.6 t70 -84.68 100.67 11.62 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.987 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.33 -34.81 76.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.298 0.571 . . . . 0.0 110.469 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -57.36 -38.02 73.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.748 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.587 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 79.27 4.96 89.21 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 107.841 -2.104 . . . . 0.0 107.841 -177.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.671 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.1 p30 -63.23 -34.47 77.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.095 -1.052 . . . . 0.0 112.838 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.671 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 93.39 -0.15 68.05 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -178.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -111.99 153.32 26.97 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.307 -0.446 . . . . 0.0 109.82 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 42.1 t -107.98 133.6 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.376 0.608 . . . . 0.0 111.628 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 55.4 t0 -101.49 155.79 17.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.177 178.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.478 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 76.4 t80 -52.13 -42.7 63.54 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.385 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -59.2 -40.51 85.97 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.101 -0.639 . . . . 0.0 110.406 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.54 -38.4 90.89 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.791 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -63.1 -41.1 99.3 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.322 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.746 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -60.26 -45.68 95.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.692 -179.264 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.81 -33.96 54.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.865 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.9 tp -58.11 -48.89 78.82 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.963 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.96 -33.4 29.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.087 0.47 . . . . 0.0 112.257 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.746 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -60.88 -40.21 92.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.332 -178.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.94 95.92 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.923 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.5 mt -63.66 -37.51 87.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.287 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.644 HG23 ' HB2' ' A' ' 8' ' ' MET . 58.9 m -53.55 -38.47 63.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.254 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.34 -34.58 61.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.72 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.41 -38.15 86.06 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.857 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 5.9 ttp -57.03 -39.7 75.3 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 119.498 -0.881 . . . . 0.0 108.721 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -58.97 -41.48 87.64 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.539 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.91 -43.44 98.56 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.478 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -64.61 -35.04 79.73 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.88 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -53.44 -39.38 64.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.24 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.19 -34.92 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.196 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.92 -33.5 68.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.606 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -104.41 137.19 42.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.605 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.445 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 33.3 t . . . . . 0 C--O 1.236 0.347 0 CA-C-O 121.016 0.436 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.64 -36.75 79.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.555 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.96 -42.47 98.35 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.004 -0.679 . . . . 0.0 109.857 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.874 ' OE2' HD12 ' B' ' 41' ' ' LEU . 77.2 mm-40 -67.06 -39.22 86.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.643 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -61.8 -43.03 99.66 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.931 -0.708 . . . . 0.0 110.401 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.04 -38.98 83.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.48 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.682 ' CG ' HG23 ' B' ' 82' ' ' THR . 48.2 ttm -61.02 -45.02 96.49 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.08 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.42 -31.55 67.83 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.212 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.8 m -56.52 -36.91 69.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.201 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.17 -42.31 99.15 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 118.998 -1.081 . . . . 0.0 110.659 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.0 mt -66.36 -43.34 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.02 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -60.18 -43.38 95.89 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.96 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 15' ' ' PHE . 20.6 m -74.46 -40.78 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.283 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.423 ' N ' HG23 ' A' ' 14' ' ' VAL . 65.9 t80 -63.38 -49.2 74.76 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.829 -0.749 . . . . 0.0 110.182 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -64.0 -46.88 82.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.34 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.36 -51.8 53.48 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.836 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.621 ' CG ' HD13 ' A' ' 36' ' ' LEU . 76.8 m80 -62.07 -46.62 88.33 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.069 -0.653 . . . . 0.0 111.416 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p -64.0 -35.26 80.11 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.355 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.25 -38.07 93.45 Favored Glycine 0 CA--C 1.522 0.487 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.175 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -58.92 -41.77 88.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.514 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -127.65 147.85 50.37 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.667 -179.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.61 -163.87 53.13 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 177.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -71.93 136.88 47.02 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.59 -39.2 90.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.122 0.487 . . . . 0.0 110.881 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -67.24 -33.8 76.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -119.05 150.63 39.66 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.3 tp -102.73 133.67 47.38 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 114.004 -1.453 . . . . 0.0 108.718 177.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.7 m -102.33 154.81 18.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.403 ' NZ ' ' HG3' ' A' ' 58' ' ' MET . 10.7 tptm -55.28 -42.15 73.22 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.921 -178.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -60.09 -42.04 93.77 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.127 -1.029 . . . . 0.0 109.558 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.1 mt-10 -66.56 -39.7 88.64 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.912 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.467 HD23 ' C ' ' A' ' 33' ' ' LEU . 9.7 tt -65.06 -43.03 93.61 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.868 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -60.74 -46.53 90.08 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.095 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.27 -38.8 88.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.11 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.621 HD13 ' CG ' ' A' ' 18' ' ' HIS . 48.6 tp -63.03 -45.4 92.5 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.099 -0.641 . . . . 0.0 111.846 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -70.07 -40.68 74.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.461 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -63.25 -45.12 93.03 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 119.734 -0.786 . . . . 0.0 111.306 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.1 m -70.9 -43.66 67.86 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.451 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.0 mm-40 -74.71 -32.03 62.03 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -177.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.883 HD12 ' OE2' ' B' ' 5' ' ' GLU . 14.1 tp -97.52 140.35 32.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.373 0.606 . . . . 0.0 111.787 -177.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.608 ' O ' ' N ' ' A' ' 44' ' ' PHE . 27.3 m -50.35 -27.31 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -44.47 -9.24 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.584 -1.007 . . . . 0.0 110.584 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.608 ' N ' ' O ' ' A' ' 42' ' ' SER . 58.9 t80 -49.35 -40.69 36.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.406 ' C ' ' H ' ' A' ' 47' ' ' ALA . 26.3 tp -58.31 -35.67 72.21 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 43' ' ' GLY . 89.2 m-20 -79.94 19.51 0.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.682 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -54.98 -21.88 13.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.368 -178.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.503 ' O ' ' O ' ' A' ' 47' ' ' ALA . 92.1 mm-40 -52.71 -154.6 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.3 0.571 . . . . 0.0 112.04 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 2.7 ptpp? -56.09 -24.44 40.26 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.58 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -52.6 -33.26 45.43 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.5 t -53.74 -35.47 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.256 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.9 p30 -56.91 -31.96 65.44 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.311 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.654 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -56.08 -27.07 52.11 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.329 0.585 . . . . 0.0 109.533 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 57' ' ' VAL . 73.0 t -54.1 -41.31 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.011 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.402 ' HA ' ' HZ1' ' A' ' 30' ' ' LYS . 89.5 m-20 -64.83 -43.7 92.21 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.807 -0.757 . . . . 0.0 111.878 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -63.54 -38.64 91.92 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 54' ' ' VAL . 29.1 m -69.92 -32.27 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 120.007 -0.677 . . . . 0.0 112.728 -178.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.403 ' HG3' ' NZ ' ' A' ' 30' ' ' LYS . 95.6 mmm -57.84 -40.06 79.17 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.427 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.22 -41.06 98.05 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.568 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.91 -46.23 72.17 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.796 HD22 HD12 ' A' ' 77' ' ' LEU . 6.3 mp -70.26 -39.44 74.96 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 120.004 -0.679 . . . . 0.0 112.734 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.511 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 62.9 t0 -89.37 109.2 20.13 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.658 -178.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.33 -34.36 78.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.29 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -55.58 -36.95 67.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.881 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.91 9.35 66.04 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 108.22 -1.952 . . . . 0.0 108.22 -177.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.675 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.5 p30 -62.72 -33.8 75.86 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 114.277 -0.962 . . . . 0.0 112.921 -178.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.675 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.24 -7.23 66.55 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.289 -1.525 . . . . 0.0 109.289 -178.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 58.5 mp0 -114.46 153.46 29.9 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.1 m -126.05 152.54 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 122.017 0.913 . . . . 0.0 112.813 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.3 t0 -102.95 159.76 15.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 113.77 -1.559 . . . . 0.0 108.526 178.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.493 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 74.5 t80 -51.16 -40.74 59.29 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.656 -179.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.461 ' O ' HG12 ' A' ' 75' ' ' VAL . 51.3 tt0 -58.08 -41.89 84.42 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.579 178.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 76' ' ' VAL . 94.6 mt-10 -68.41 -38.11 80.95 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.144 178.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -63.35 -44.92 93.47 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.5 p -59.93 -39.84 81.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.634 -178.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 73' ' ' GLU . 35.2 m -74.37 -32.74 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.381 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.796 HD12 HD22 ' A' ' 61' ' ' LEU . 15.7 tp -56.66 -45.61 81.57 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.314 -0.555 . . . . 0.0 110.135 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.18 -34.63 45.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.307 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.12 -37.6 85.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.934 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.68 95.96 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.126 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.0 mt -64.25 -36.97 85.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.132 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.677 HG23 ' CG ' ' B' ' 8' ' ' MET . 47.9 m -54.16 -36.77 63.7 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.68 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 70.5 t -58.64 -34.58 51.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.037 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.55 -37.48 75.79 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.29 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.2 mmm -60.61 -37.9 82.91 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.217 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -60.09 -45.86 91.52 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.694 -0.802 . . . . 0.0 111.036 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -65.9 -44.22 85.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.133 0.492 . . . . 0.0 111.476 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -62.54 -42.56 99.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.305 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -53.49 -39.01 64.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.915 -178.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -54.55 -34.87 62.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.539 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.5 -32.91 72.95 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.488 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -104.51 137.04 42.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.489 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.483 -179.929 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.451 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 33.4 t -107.55 142.38 37.55 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 110.646 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.76 -36.62 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.14 -42.33 98.35 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.0 -0.68 . . . . 0.0 109.85 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.883 ' OE2' HD12 ' A' ' 41' ' ' LEU . 77.0 mm-40 -67.2 -39.14 86.31 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.554 179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.1 m -61.81 -43.18 99.36 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.304 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.95 83.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.432 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.677 ' CG ' HG23 ' A' ' 82' ' ' THR . 48.1 ttm -60.97 -44.97 96.58 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-O 120.96 0.409 . . . . 0.0 112.023 -178.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.47 -31.61 67.98 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.261 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.8 m -56.54 -36.89 69.78 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.182 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.19 -42.26 99.12 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 118.911 -1.116 . . . . 0.0 110.706 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.1 mt -66.34 -43.36 91.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.973 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -60.18 -43.54 95.77 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.937 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.422 HG23 ' N ' ' B' ' 15' ' ' PHE . 20.2 m -74.31 -40.82 50.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 120.039 -0.665 . . . . 0.0 111.315 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.422 ' N ' HG23 ' B' ' 14' ' ' VAL . 65.9 t80 -63.29 -49.27 74.67 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.229 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -63.96 -46.91 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.337 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.32 -51.86 53.0 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.837 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.622 ' CG ' HD13 ' B' ' 36' ' ' LEU . 76.9 m80 -62.02 -46.62 88.36 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.495 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -63.99 -35.26 80.11 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.407 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.83 93.16 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.199 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -59.07 -41.77 88.76 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.509 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.7 mm-40 -127.68 147.87 50.39 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.681 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.5 -163.94 52.92 Favored Glycine 0 C--N 1.33 0.223 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -71.82 136.95 47.24 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -61.66 -39.22 90.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 0.0 110.786 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -67.2 -33.88 76.32 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -178.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -119.01 150.67 39.56 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.4 tp -102.76 133.62 47.51 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 114.02 -1.445 . . . . 0.0 108.659 177.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.6 m -102.29 154.72 18.78 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -55.17 -42.16 72.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -60.03 -42.06 93.57 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.163 -1.015 . . . . 0.0 109.617 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.509 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.1 mt-10 -66.56 -39.79 88.69 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.916 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.472 ' C ' HD23 ' B' ' 33' ' ' LEU . 9.7 tt -65.05 -43.0 93.73 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.892 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -60.8 -46.46 90.44 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 119.456 -0.897 . . . . 0.0 111.123 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.17 -38.81 88.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.17 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.622 HD13 ' CG ' ' B' ' 18' ' ' HIS . 49.0 tp -63.2 -45.25 92.6 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.765 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -70.04 -40.76 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.422 179.313 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -63.34 -45.14 92.6 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.759 -0.777 . . . . 0.0 111.178 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 52.6 m -70.9 -43.65 67.87 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.445 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 76.9 mm-40 -74.67 -32.1 62.12 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.874 HD12 ' OE2' ' A' ' 5' ' ' GLU . 14.2 tp -97.5 140.38 32.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.371 0.605 . . . . 0.0 111.733 -177.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.601 ' O ' ' N ' ' B' ' 44' ' ' PHE . 27.7 m -50.29 -27.23 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' B' ' 46' ' ' ASP . . . -44.64 -9.09 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 178.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.601 ' N ' ' O ' ' B' ' 42' ' ' SER . 58.9 t80 -49.45 -40.61 37.56 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.432 ' C ' ' H ' ' B' ' 47' ' ' ALA . 26.2 tp -58.31 -35.74 72.31 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' B' ' 43' ' ' GLY . 89.1 m-20 -79.91 19.54 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.663 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' B' ' 44' ' ' PHE . . . -54.93 -22.0 13.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.341 -179.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.495 ' O ' ' O ' ' B' ' 47' ' ' ALA . 92.1 mm-40 -52.65 -154.59 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.356 0.598 . . . . 0.0 112.053 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 2.7 ptpp? -55.98 -24.58 39.55 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.588 -178.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -52.55 -33.21 44.62 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.2 t -53.73 -35.44 26.85 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.289 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.66 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 52.1 p30 -56.94 -31.95 65.49 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.397 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.66 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -56.18 -26.87 52.4 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.282 0.563 . . . . 0.0 109.511 179.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.418 ' O ' HG22 ' B' ' 57' ' ' VAL . 73.0 t -54.12 -41.31 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.01 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -64.8 -43.77 92.11 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 119.8 -0.76 . . . . 0.0 111.891 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -63.53 -38.62 91.81 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 54' ' ' VAL . 29.4 m -69.99 -32.16 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 119.978 -0.689 . . . . 0.0 112.78 -178.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 95.4 mmm -57.94 -39.97 79.35 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.445 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.27 -41.0 98.08 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.59 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.9 -46.22 72.21 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.79 HD22 HD12 ' B' ' 77' ' ' LEU . 6.3 mp -70.25 -39.59 74.93 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.079 -0.648 . . . . 0.0 112.717 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.524 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 62.9 t0 -89.32 109.31 20.22 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 119.467 -0.893 . . . . 0.0 111.743 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.42 -34.39 78.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.309 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -55.43 -37.02 67.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.96 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.08 9.15 66.31 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 108.188 -1.965 . . . . 0.0 108.188 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.681 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.5 p30 -62.65 -33.78 75.73 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 114.309 -0.945 . . . . 0.0 112.981 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.681 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.3 -7.12 66.35 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 58.6 mp0 -114.63 153.44 30.16 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 26.2 m -126.09 152.51 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.979 0.895 . . . . 0.0 112.826 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.6 t0 -103.0 159.76 15.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.786 -1.552 . . . . 0.0 108.429 178.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.492 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 74.8 t80 -51.11 -40.75 59.17 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.45 -0.9 . . . . 0.0 109.603 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.456 ' O ' HG12 ' B' ' 75' ' ' VAL . 51.3 tt0 -58.09 -41.92 84.5 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.597 178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.412 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.6 mt-10 -68.34 -38.04 81.1 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.576 0.703 . . . . 0.0 110.198 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -63.47 -44.91 93.07 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.456 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.4 p -59.95 -39.79 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.634 -178.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.412 HG22 ' O ' ' B' ' 73' ' ' GLU . 35.2 m -74.37 -32.94 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.355 178.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.79 HD12 HD22 ' B' ' 61' ' ' LEU . 15.7 tp -56.54 -45.59 81.09 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.135 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.25 -34.59 44.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.249 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.53 85.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.907 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.68 95.7 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.039 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.2 -36.96 85.78 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.106 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.682 HG23 ' CG ' ' A' ' 8' ' ' MET . 49.4 m -54.21 -36.8 63.85 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.628 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.7 t -58.56 -34.68 51.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.013 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.57 -37.37 75.6 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.351 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 89.4 mmm -60.63 -37.87 82.91 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.214 -0.595 . . . . 0.0 111.251 178.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -60.09 -45.87 91.47 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.078 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -65.87 -44.3 85.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.119 0.485 . . . . 0.0 111.413 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -62.53 -42.54 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.208 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -53.52 -39.06 64.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.967 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -54.48 -34.9 62.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.54 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.44 -32.89 72.87 Favored 'General case' 0 N--CA 1.461 0.087 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.558 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -104.57 137.02 43.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.44 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.531 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.95 0.405 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -58.2 -37.3 74.53 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.204 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.9 tp -59.37 -42.27 91.23 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.78 -40.11 94.72 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.19 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.8 m -60.26 -42.82 96.15 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.421 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.429 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -67.36 -39.67 85.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.668 ' CG ' HG23 ' B' ' 82' ' ' THR . 47.7 ttm -60.6 -43.86 96.94 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.299 -178.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -57.93 -30.55 66.03 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.26 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.429 HG21 ' HB2' ' B' ' 7' ' ' ALA . 40.5 m -55.01 -38.34 67.77 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.997 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.9 mt -64.51 -41.18 96.57 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.576 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.513 HG22 ' CD2' ' A' ' 16' ' ' HIS . 76.2 mt -64.38 -45.85 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.207 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.08 -42.95 95.71 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.781 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.0 m -71.02 -36.5 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.004 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.82 -48.12 82.98 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.934 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.513 ' CD2' HG22 ' A' ' 12' ' ' ILE . 94.6 m-70 -63.45 -47.46 81.79 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.9 -48.8 75.18 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.198 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.561 ' CG ' HD13 ' A' ' 36' ' ' LEU . 75.3 m80 -63.35 -45.94 88.89 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.466 179.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 22' ' ' GLU . 24.7 m -58.95 -40.88 86.01 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.714 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.62 -37.71 93.86 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.931 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.07 -42.26 89.94 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.4 mt-10 -123.83 149.18 46.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.12 -116.79 9.61 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 109.061 -1.616 . . . . 0.0 109.061 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 24' ' ' ASP . 51.7 p30 -143.6 159.07 43.11 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 178.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -61.91 -37.94 86.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.424 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -64.34 -35.78 81.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.54 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -127.39 144.5 51.04 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.552 0.691 . . . . 0.0 112.344 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.429 HD12 ' CD ' ' A' ' 32' ' ' GLU . 12.4 tp -108.27 125.77 52.05 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.4 p -83.66 156.07 22.85 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.667 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 16.1 tptm -60.18 -44.69 94.87 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.44 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.84 -41.4 91.28 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.675 -0.81 . . . . 0.0 108.949 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.542 ' OE2' ' O ' ' A' ' 18' ' ' HIS . 84.5 tt0 -63.26 -38.34 90.79 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.864 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.746 HD22 HG21 ' A' ' 69' ' ' VAL . 18.5 tp -62.53 -43.67 98.24 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.48 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.506 ' O ' ' OE1' ' A' ' 38' ' ' GLN . 32.3 ttpt -60.24 -46.61 89.18 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.755 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.51 -38.54 91.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.605 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.561 HD13 ' CG ' ' A' ' 18' ' ' HIS . 50.3 tp -61.67 -45.58 93.39 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.697 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -69.15 -43.48 74.23 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.816 179.083 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.531 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -65.44 -42.77 92.04 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.975 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -69.86 -44.55 69.61 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 77.2 mm-40 -75.99 -31.25 58.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.532 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 14.3 tp -97.78 137.84 36.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.456 0.646 . . . . 0.0 111.92 -176.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.61 ' O ' ' N ' ' A' ' 44' ' ' PHE . 25.7 m -51.73 -28.36 14.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.126 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.532 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -44.66 -9.85 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.61 ' N ' ' O ' ' A' ' 42' ' ' SER . 66.0 t80 -49.53 -39.41 34.27 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.7 tp -56.77 -35.43 68.65 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.686 ' C ' ' H ' ' A' ' 48' ' ' GLN . 88.6 m-20 -79.88 12.61 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.309 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -55.5 19.32 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.317 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.686 ' H ' ' C ' ' A' ' 46' ' ' ASP . 25.3 mt-30 -65.21 161.77 18.6 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -53.74 -26.28 22.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.792 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.99 -35.07 63.95 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 48' ' ' GLN . 5.5 p -53.75 -19.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.763 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.0 p30 -56.54 -30.6 63.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.693 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.654 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -57.09 -27.78 62.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 51' ' ' VAL . 6.8 p -53.51 -34.94 24.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.905 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.543 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 56.2 t0 -65.02 -43.8 91.25 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.806 -0.758 . . . . 0.0 112.344 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -69.63 -44.08 71.36 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.465 0.65 . . . . 0.0 112.499 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 54' ' ' VAL . 3.9 p -62.5 -32.5 55.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.476 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.573 ' SD ' ' O ' ' A' ' 58' ' ' MET . 3.3 tmm? -55.4 -36.54 66.55 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.099 0.476 . . . . 0.0 110.526 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -58.19 -37.46 74.8 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.073 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.17 -38.85 92.52 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.449 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.575 ' N ' HD12 ' A' ' 61' ' ' LEU . 8.4 mp -67.17 -38.03 84.76 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.812 178.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.513 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 63.6 t0 -85.88 108.8 18.32 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.947 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.61 -33.22 75.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.973 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -56.07 -38.64 70.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.046 -177.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.1 5.93 81.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 108.366 -1.894 . . . . 0.0 108.366 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.655 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.4 p30 -63.29 -32.97 74.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.398 -0.901 . . . . 0.0 112.53 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.655 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.55 -3.61 63.45 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.478 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 95.9 mt-10 -112.03 151.91 28.78 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.746 HG21 HD22 ' A' ' 33' ' ' LEU . 41.3 t -111.06 133.79 55.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.563 0.697 . . . . 0.0 111.589 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -99.41 157.85 16.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.051 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -52.59 -42.14 64.26 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.095 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.443 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.5 tt0 -58.63 -41.23 85.46 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.226 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.485 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 96.5 mt-10 -68.11 -39.0 82.89 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.387 0.613 . . . . 0.0 110.494 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.06 -45.15 90.05 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.539 HG13 ' HB1' ' B' ' 79' ' ' ALA . 4.0 p -59.94 -38.95 78.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.594 -178.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.6 m -75.96 -32.8 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.783 178.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.432 ' C ' HD23 ' A' ' 77' ' ' LEU . 10.0 tt -60.72 -41.65 95.7 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 75' ' ' VAL . 25.2 m -72.48 -32.0 40.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 121.25 0.547 . . . . 0.0 110.993 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.534 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -61.23 -36.26 79.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.131 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.1 93.26 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.525 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.5 mp -65.54 -36.46 83.86 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.144 0.497 . . . . 0.0 109.936 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.669 HG23 ' CG ' ' B' ' 8' ' ' MET . 51.4 m -53.73 -36.99 62.89 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.737 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.0 t -58.98 -34.77 53.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.094 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.26 -36.88 76.3 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.242 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 88.9 mmm -60.04 -37.58 80.21 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.011 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -60.0 -46.16 90.39 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.574 -0.851 . . . . 0.0 111.161 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -65.5 -44.36 87.25 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.025 0.441 . . . . 0.0 111.472 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -62.58 -41.83 99.18 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.405 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -53.63 -39.31 64.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.094 -177.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.27 -34.78 61.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.065 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.67 -33.24 68.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -103.64 136.98 42.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.557 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.561 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.727 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -62.83 154.37 30.15 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.596 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -58.17 -37.33 74.5 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.19 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 14.8 tp -59.27 -42.35 91.0 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.78 -40.05 94.62 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.217 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.0 m -60.23 -42.82 96.03 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.522 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.429 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -67.36 -39.57 85.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.998 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.669 ' CG ' HG23 ' A' ' 82' ' ' THR . 47.8 ttm -60.69 -43.88 97.23 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.348 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -57.85 -30.52 65.86 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.322 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.429 HG21 ' HB2' ' A' ' 7' ' ' ALA . 41.0 m -55.15 -38.22 67.98 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.057 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.2 mt -64.47 -41.23 96.62 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.06 -1.056 . . . . 0.0 110.587 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.516 HG22 ' CD2' ' B' ' 16' ' ' HIS . 75.8 mt -64.31 -45.89 94.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.221 -179.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.06 -42.95 95.61 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.799 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.411 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 24.8 m -71.08 -36.42 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.12 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.402 ' O ' ' OG ' ' B' ' 19' ' ' SER . 68.8 t80 -59.79 -48.16 82.82 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 119.338 -0.945 . . . . 0.0 109.896 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.516 ' CD2' HG22 ' B' ' 12' ' ' ILE . 94.7 m-70 -63.42 -47.46 81.82 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -48.76 75.28 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.154 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.559 ' CG ' HD13 ' B' ' 36' ' ' LEU . 75.4 m80 -63.36 -46.01 88.54 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.494 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.442 ' O ' ' O ' ' B' ' 22' ' ' GLU . 24.5 m -58.9 -40.78 85.51 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.789 -179.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.63 -37.8 93.95 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.9 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.1 -42.21 89.95 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' B' ' 19' ' ' SER . 95.4 mt-10 -123.89 149.07 46.27 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.24 -116.8 9.66 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' B' ' 27' ' ' LYS . 51.7 p30 -143.58 159.13 43.0 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -61.91 -37.95 86.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.456 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -64.33 -35.86 82.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.527 -178.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.436 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 41.3 mtmt -127.31 144.37 51.06 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.542 0.687 . . . . 0.0 112.414 -178.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.431 HD12 ' CD ' ' B' ' 32' ' ' GLU . 12.4 tp -108.06 125.78 51.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 177.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.4 p -83.68 155.97 22.87 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.69 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 16.0 tptm -60.11 -44.64 94.71 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.548 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.91 -41.32 91.44 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 119.654 -0.818 . . . . 0.0 108.98 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.538 ' OE2' ' O ' ' B' ' 18' ' ' HIS . 84.6 tt0 -63.34 -38.28 90.52 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.832 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.738 HD22 HG21 ' B' ' 69' ' ' VAL . 18.4 tp -62.53 -43.55 98.53 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.493 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.51 ' O ' ' OE1' ' B' ' 38' ' ' GLN . 32.3 ttpt -60.4 -46.62 89.33 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.681 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.38 -38.65 91.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.658 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.559 HD13 ' CG ' ' B' ' 18' ' ' HIS . 50.3 tp -61.6 -45.6 93.4 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.682 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -69.22 -43.51 73.95 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.803 179.175 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.536 ' CD ' ' N ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -65.36 -42.79 92.41 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 119.842 -0.743 . . . . 0.0 112.069 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.4 m -69.89 -44.53 69.55 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.512 ' OE2' ' CE1' ' B' ' 18' ' ' HIS . 77.3 mm-40 -75.97 -31.29 58.95 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.53 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 14.2 tp -97.71 137.84 35.99 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.495 0.664 . . . . 0.0 111.999 -176.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.594 ' O ' ' N ' ' B' ' 44' ' ' PHE . 27.5 m -51.84 -28.28 15.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.098 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.53 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -44.61 -9.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.594 ' N ' ' O ' ' B' ' 42' ' ' SER . 65.9 t80 -49.45 -39.44 33.2 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.8 -35.4 68.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.685 ' C ' ' H ' ' B' ' 48' ' ' GLN . 88.8 m-20 -79.88 12.58 2.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.299 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' B' ' 44' ' ' PHE . . . -55.39 19.14 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.319 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.685 ' H ' ' C ' ' B' ' 46' ' ' ASP . 25.3 mt-30 -64.99 161.75 18.02 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -53.77 -26.31 23.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.764 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.05 -34.91 63.94 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.657 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.5 p -53.76 -19.44 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.669 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.641 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.0 p30 -56.44 -30.69 63.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.684 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.641 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.01 -27.82 61.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.657 HG12 ' O ' ' B' ' 51' ' ' VAL . 6.7 p -53.46 -34.93 24.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.945 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.543 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 56.4 t0 -65.1 -43.8 90.88 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.744 -0.783 . . . . 0.0 112.34 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -69.57 -44.13 71.46 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.459 0.647 . . . . 0.0 112.528 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.411 HG12 ' O ' ' B' ' 54' ' ' VAL . 3.9 p -62.45 -32.45 55.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.487 -177.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.568 ' SD ' ' O ' ' B' ' 58' ' ' MET . 3.3 tmm? -55.48 -36.5 66.68 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.104 0.478 . . . . 0.0 110.517 -179.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -58.29 -37.34 74.84 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.054 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.32 -38.78 92.25 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.365 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.581 HD12 ' N ' ' B' ' 61' ' ' LEU . 8.4 mp -67.27 -37.9 84.22 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.848 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.515 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 63.7 t0 -85.98 108.8 18.38 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.884 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.64 -33.25 75.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.003 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -55.99 -38.59 70.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.12 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.08 5.81 81.4 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.5 p30 -63.17 -33.03 74.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.307 -0.946 . . . . 0.0 112.581 -179.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.61 -3.57 63.29 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -178.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 95.9 mt-10 -112.09 151.87 28.91 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.738 HG21 HD22 ' B' ' 33' ' ' LEU . 41.2 t -111.04 133.79 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.494 0.664 . . . . 0.0 111.638 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -99.42 157.83 16.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.021 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -52.56 -42.13 64.16 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.125 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.429 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.5 tt0 -58.73 -41.12 85.67 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.281 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.493 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 96.5 mt-10 -68.14 -38.99 82.77 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.396 0.617 . . . . 0.0 110.529 179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -64.05 -45.14 90.12 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.534 HG13 ' HB1' ' A' ' 79' ' ' ALA . 3.9 p -59.96 -38.92 78.58 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 119.774 -0.77 . . . . 0.0 110.616 -178.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 73' ' ' GLU . 32.6 m -76.03 -32.83 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.696 178.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.436 HD23 ' C ' ' B' ' 77' ' ' LEU . 10.0 tt -60.72 -41.6 95.61 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.232 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.425 HG22 ' O ' ' B' ' 75' ' ' VAL . 25.1 m -72.5 -31.92 39.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.28 0.562 . . . . 0.0 111.01 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.539 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -61.34 -36.21 79.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.125 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.12 93.23 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.039 -0.665 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.52 HD12 ' H ' ' B' ' 81' ' ' LEU . 6.5 mp -65.46 -36.45 83.94 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.161 0.505 . . . . 0.0 110.037 178.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.668 HG23 ' CG ' ' A' ' 8' ' ' MET . 50.3 m -53.81 -36.85 62.92 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.778 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.95 -34.91 54.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.085 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.93 76.1 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.317 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 88.7 mmm -60.14 -37.58 80.52 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.946 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -59.87 -46.3 89.76 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.15 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -65.39 -44.5 87.31 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.046 0.45 . . . . 0.0 111.473 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -62.54 -41.83 99.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.426 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -53.59 -39.25 64.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.119 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.32 -34.73 61.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.103 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.61 -33.35 68.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -103.6 136.9 42.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.601 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.529 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.236 0.394 0 CA-C-O 121.089 0.471 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.09 -36.31 77.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.411 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.64 -42.45 96.96 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.753 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.881 ' OE2' HD12 ' B' ' 41' ' ' LEU . 77.0 mm-40 -66.88 -39.32 87.47 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.668 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.0 m -61.53 -43.13 99.42 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.405 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -68.5 -38.37 80.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.716 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.665 ' CG ' HG23 ' B' ' 82' ' ' THR . 46.7 ttm -59.9 -43.33 94.89 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 120.998 0.428 . . . . 0.0 112.124 -178.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.96 -31.15 66.59 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.262 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.443 HG21 ' HB2' ' B' ' 7' ' ' ALA . 38.6 m -56.15 -37.43 69.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.356 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.4 mt -63.0 -41.16 99.51 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.053 -1.059 . . . . 0.0 110.559 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.0 mt -64.99 -45.09 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.031 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -60.55 -41.13 93.9 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.896 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.416 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 27.4 m -73.73 -38.68 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.469 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 19' ' ' SER . 71.1 t80 -62.8 -49.76 73.66 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.491 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -64.18 -47.94 77.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.434 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.05 -52.45 42.04 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.056 -0.658 . . . . 0.0 112.061 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.467 ' CE1' ' OE2' ' A' ' 40' ' ' GLU . 77.5 m80 -62.82 -48.33 79.57 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.519 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 15' ' ' PHE . 20.1 t -61.71 -40.15 94.02 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.959 0.409 . . . . 0.0 110.715 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.549 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . . . -63.04 -37.36 94.82 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.849 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -58.76 -41.31 86.28 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.522 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -126.72 150.3 49.12 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.934 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.04 -163.65 53.9 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.69 137.63 49.93 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.549 ' NZ ' ' O ' ' A' ' 20' ' ' GLY . 65.4 mmtt -61.16 -40.72 94.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.211 0.529 . . . . 0.0 110.078 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -69.42 -33.59 73.2 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -116.06 149.59 38.67 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -176.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -104.32 131.27 51.84 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.0 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -98.79 150.91 21.36 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.574 ' HZ2' ' CG ' ' A' ' 55' ' ' ASP . 59.1 tttt -55.57 -39.16 70.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 118.521 -1.272 . . . . 0.0 110.945 -177.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -56.58 -40.9 76.02 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 118.452 -1.299 . . . . 0.0 108.516 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.522 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.2 mt-10 -66.46 -36.67 83.33 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.337 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.682 HD22 HG21 ' A' ' 69' ' ' VAL . 16.6 tp -66.85 -50.73 61.63 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -60.46 -43.82 96.52 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.576 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.65 -37.74 85.44 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.471 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.6 tt -64.89 -43.93 91.28 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.061 -0.656 . . . . 0.0 110.448 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.613 HD12 HD22 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -68.14 -40.72 82.37 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.155 179.361 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.436 ' NE2' ' CB ' ' A' ' 47' ' ' ALA . 62.7 tt0 -63.32 -45.68 90.2 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.426 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.2 m -70.87 -43.35 68.61 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.467 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 77.2 mm-40 -74.62 -32.33 62.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.892 HD12 ' OE2' ' B' ' 5' ' ' GLU . 13.6 tp -97.98 140.31 32.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.11 0.481 . . . . 0.0 111.171 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.584 ' O ' ' N ' ' A' ' 44' ' ' PHE . 87.6 p -54.29 -24.49 19.23 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.591 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -46.42 -9.7 0.03 OUTLIER Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.584 ' N ' ' O ' ' A' ' 42' ' ' SER . 46.4 t80 -47.66 -42.19 24.04 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.97 -35.21 79.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.205 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.672 ' C ' ' H ' ' A' ' 48' ' ' GLN . 28.4 p30 -90.12 13.17 15.73 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.287 -178.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.57 ' HA ' HG11 ' A' ' 51' ' ' VAL . . . -56.47 20.26 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.672 ' H ' ' C ' ' A' ' 46' ' ' ASP . 93.2 mt-30 -60.55 162.09 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -48.85 -18.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -55.37 -34.79 64.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.033 0.444 . . . . 0.0 110.164 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.609 ' O ' HG12 ' A' ' 54' ' ' VAL . 17.9 m -58.39 -10.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.335 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.7 p30 -58.63 -30.34 67.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.887 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.654 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -57.66 -27.19 62.63 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.673 0.749 . . . . 0.0 109.292 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.632 ' O ' HG22 ' A' ' 57' ' ' VAL . 6.1 p -51.86 -36.79 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.574 ' CG ' ' HZ2' ' A' ' 30' ' ' LYS . 54.7 t0 -60.72 -42.06 96.52 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.59 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.43 -38.04 89.62 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.499 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 54' ' ' VAL . 2.2 m -68.61 -29.49 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.946 -178.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.0 mmm -55.51 -39.39 70.45 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.818 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -62.02 -43.28 99.18 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.007 -0.677 . . . . 0.0 111.099 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.33 -42.35 88.31 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.482 ' HG ' ' N ' ' A' ' 62' ' ' ASP . 0.6 OUTLIER -78.11 -36.95 47.36 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.307 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.49 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 63.6 t0 -87.67 110.47 20.44 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.308 -179.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.04 -33.49 75.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.366 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -56.77 -38.9 73.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.857 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.21 4.86 64.74 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 108.209 -1.957 . . . . 0.0 108.209 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.658 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.9 p30 -63.31 -33.97 76.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.379 -0.91 . . . . 0.0 112.899 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.658 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.65 0.36 64.61 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 109.724 -1.351 . . . . 0.0 109.724 -178.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -109.32 152.46 25.25 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.682 HG21 HD22 ' A' ' 33' ' ' LEU . 44.1 t -108.66 132.6 56.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.57 0.7 . . . . 0.0 111.576 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -101.97 159.32 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -52.12 -42.32 63.2 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.997 -1.081 . . . . 0.0 109.721 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.47 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.4 tt0 -59.73 -41.38 90.78 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.689 178.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.484 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 96.6 mt-10 -68.37 -39.53 81.73 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.523 0.678 . . . . 0.0 111.107 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -63.75 -45.19 90.96 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.096 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 72' ' ' GLN . 2.5 p -60.34 -38.85 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.691 -178.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.6 m -75.57 -33.4 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 120.142 -0.623 . . . . 0.0 109.692 178.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.497 ' C ' HD23 ' A' ' 77' ' ' LEU . 9.7 tt -59.65 -42.44 92.8 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 75' ' ' VAL . 22.6 m -72.27 -31.07 37.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 C-N-CA 120.276 -0.569 . . . . 0.0 111.265 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.25 80.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.644 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.71 90.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.594 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.613 HD22 HD12 ' A' ' 37' ' ' LEU . 6.2 mp -65.52 -35.33 80.54 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.043 0.449 . . . . 0.0 110.171 178.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.671 HG23 ' CG ' ' B' ' 8' ' ' MET . 87.4 m -52.91 -36.78 60.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.559 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.2 t -58.47 -35.95 56.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.229 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.3 79.8 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.266 -0.573 . . . . 0.0 110.428 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.0 tpt -57.22 -39.5 75.59 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -59.79 -41.5 91.29 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.64 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -61.38 -44.05 97.82 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.795 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.6 -36.42 83.67 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.708 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -53.48 -39.22 64.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.947 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.54 -34.95 62.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.566 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.58 -32.71 72.82 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.579 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.22 137.12 42.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.593 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -107.39 143.12 36.15 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.119 0.485 . . . . 0.0 110.556 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.05 -36.4 77.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.427 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.52 -42.41 96.38 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.846 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.892 ' OE2' HD12 ' A' ' 41' ' ' LEU . 77.0 mm-40 -66.93 -39.41 87.34 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.597 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.4 m -61.46 -43.12 99.43 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.478 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.443 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -68.49 -38.47 81.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.657 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.671 ' CG ' HG23 ' A' ' 82' ' ' THR . 46.6 ttm -59.85 -43.31 94.72 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.84 -31.24 66.46 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.324 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.424 HG21 ' HB2' ' A' ' 7' ' ' ALA . 38.8 m -56.05 -37.61 69.49 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.289 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.83 -41.33 99.28 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 119.046 -1.062 . . . . 0.0 110.522 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.91 -44.99 96.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.103 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -60.5 -41.25 93.95 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.881 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.434 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 27.1 m -73.76 -38.65 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.445 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' B' ' 19' ' ' SER . 71.1 t80 -62.83 -49.73 73.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.511 178.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -64.07 -47.94 78.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.461 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.08 -52.5 41.24 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 120.099 -0.64 . . . . 0.0 112.04 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.47 ' CE1' ' OE2' ' B' ' 40' ' ' GLU . 77.5 m80 -62.8 -48.29 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.571 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' B' ' 15' ' ' PHE . 20.0 t -61.73 -40.13 93.99 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.02 0.438 . . . . 0.0 110.745 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.436 ' O ' ' NZ ' ' B' ' 25' ' ' LYS . . . -63.15 -37.25 94.61 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.824 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -58.75 -41.32 86.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.524 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -126.72 150.36 49.1 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.916 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.98 -163.68 53.84 Favored Glycine 0 C--N 1.333 0.4 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.73 137.65 49.87 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.436 ' NZ ' ' O ' ' B' ' 20' ' ' GLY . 65.3 mmtt -61.23 -40.66 94.86 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.078 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -69.51 -33.49 72.91 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -116.04 149.58 38.67 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -104.32 131.28 51.83 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.975 177.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.5 t -98.81 150.93 21.36 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.572 ' HZ2' ' CG ' ' B' ' 55' ' ' ASP . 59.1 tttt -55.54 -39.23 70.31 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 118.529 -1.269 . . . . 0.0 110.923 -177.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -56.56 -40.99 76.11 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 118.419 -1.312 . . . . 0.0 108.55 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.524 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.2 mt-10 -66.29 -36.75 83.77 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.366 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.662 HD22 HG21 ' B' ' 69' ' ' VAL . 16.8 tp -66.83 -50.73 61.64 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -60.46 -43.85 96.47 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.598 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.56 -37.82 85.78 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.474 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.79 -43.94 91.57 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.524 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.608 HD12 HD22 ' B' ' 81' ' ' LEU . 0.5 OUTLIER -68.18 -40.73 82.16 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.162 179.385 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.439 ' NE2' ' CB ' ' B' ' 47' ' ' ALA . 62.5 tt0 -63.23 -45.7 90.41 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.484 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 46.9 m -70.8 -43.37 68.8 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.47 ' OE2' ' CE1' ' B' ' 18' ' ' HIS . 77.3 mm-40 -74.61 -32.4 62.31 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.881 HD12 ' OE2' ' A' ' 5' ' ' GLU . 13.7 tp -97.88 140.4 32.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.095 0.474 . . . . 0.0 111.218 -177.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.588 ' O ' ' N ' ' B' ' 44' ' ' PHE . 87.8 p -54.38 -24.54 20.06 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.565 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -46.36 -9.7 0.03 OUTLIER Glycine 0 CA--C 1.522 0.516 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 178.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.588 ' N ' ' O ' ' B' ' 42' ' ' SER . 46.4 t80 -47.75 -42.14 24.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.91 -35.24 79.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.207 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.661 ' C ' ' H ' ' B' ' 48' ' ' GLN . 28.6 p30 -90.17 13.15 15.86 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.27 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.557 ' HA ' HG11 ' B' ' 51' ' ' VAL . . . -56.49 20.26 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.661 ' H ' ' C ' ' B' ' 46' ' ' ASP . 93.1 mt-30 -60.52 162.01 6.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.196 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -48.75 -18.82 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.22 -34.95 64.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.09 0.471 . . . . 0.0 110.229 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.602 ' O ' HG12 ' B' ' 54' ' ' VAL . 18.0 m -58.31 -10.95 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.317 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.657 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.7 p30 -58.6 -30.3 67.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.839 179.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.657 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.7 -27.28 62.79 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-O 121.586 0.707 . . . . 0.0 109.239 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.635 ' O ' HG22 ' B' ' 57' ' ' VAL . 6.1 p -51.74 -36.75 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.572 ' CG ' ' HZ2' ' B' ' 30' ' ' LYS . 54.8 t0 -60.72 -42.23 96.86 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.497 178.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.24 -38.12 89.92 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.508 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.635 HG22 ' O ' ' B' ' 54' ' ' VAL . 2.2 m -68.71 -29.45 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.927 -177.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 93.1 mmm -55.49 -39.38 70.37 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.827 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -62.02 -43.37 98.98 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.971 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.35 -42.34 88.22 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' B' ' 62' ' ' ASP . 0.6 OUTLIER -78.07 -37.07 47.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.316 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.491 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 63.6 t0 -87.6 110.51 20.43 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.303 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.17 -33.38 75.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.348 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -56.78 -38.95 73.23 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.84 -178.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.26 4.84 64.94 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.9 p30 -63.45 -33.8 76.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.398 -0.901 . . . . 0.0 112.925 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.654 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.63 0.33 64.68 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -178.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -109.35 152.42 25.32 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.662 HG21 HD22 ' B' ' 33' ' ' LEU . 43.9 t -108.58 132.61 56.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.438 0.637 . . . . 0.0 111.555 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -101.97 159.26 15.52 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -52.13 -42.27 63.2 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 118.988 -1.085 . . . . 0.0 109.712 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.465 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.4 tt0 -59.64 -41.45 90.5 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.748 178.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.48 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 96.7 mt-10 -68.59 -39.36 80.97 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.486 0.66 . . . . 0.0 111.016 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -63.81 -45.15 90.96 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.465 HG12 ' O ' ' B' ' 72' ' ' GLN . 2.4 p -60.35 -38.83 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.679 -178.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.455 HG22 ' O ' ' B' ' 73' ' ' GLU . 32.6 m -75.62 -33.37 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.642 178.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.488 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.7 tt -59.73 -42.4 93.05 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.435 HG22 ' O ' ' B' ' 75' ' ' VAL . 22.7 m -72.25 -31.08 37.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.293 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.29 80.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.611 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.66 90.84 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.625 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.608 HD22 HD12 ' B' ' 37' ' ' LEU . 6.2 mp -65.51 -35.33 80.56 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.075 0.464 . . . . 0.0 110.2 178.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.665 HG23 ' CG ' ' A' ' 8' ' ' MET . 86.6 m -52.93 -36.74 60.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.644 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.1 t -58.49 -35.98 57.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.151 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.33 79.95 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.437 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.16 -39.49 75.36 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -59.68 -41.62 91.09 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.694 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -61.32 -44.04 97.87 Favored 'General case' 0 N--CA 1.458 -0.051 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.785 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.68 -36.3 83.24 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.762 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -53.56 -39.17 64.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.984 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.47 -35.02 62.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.595 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.66 -32.57 72.74 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.577 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.3 137.05 42.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.593 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.557 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.467 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 54.6 p . . . . . 0 C--O 1.235 0.335 0 CA-C-O 120.954 0.407 . . . . 0.0 110.577 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.58 -36.23 78.01 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.941 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.65 -42.22 96.55 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.916 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.38 -39.17 88.92 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.95 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.4 m -62.6 -42.47 99.59 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.291 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.74 -37.71 85.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.301 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.691 ' CG ' HG23 ' B' ' 82' ' ' THR . 47.3 ttm -59.44 -42.77 92.68 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.17 0.51 . . . . 0.0 111.532 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.89 -31.16 66.47 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.24 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.0 m -55.94 -37.27 68.74 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.314 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.57 -41.47 98.95 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.401 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.0 mt -65.32 -43.6 94.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.806 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -59.48 -42.95 93.26 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.786 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -73.79 -38.28 50.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.848 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.483 ' CE1' HD22 ' A' ' 28' ' ' LEU . 66.5 t80 -62.42 -49.11 76.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.363 0.602 . . . . 0.0 110.127 179.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.633 ' NE2' ' CE ' ' A' ' 25' ' ' LYS . 21.4 t-80 -64.13 -49.09 73.56 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.496 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.69 -48.67 71.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.248 -0.581 . . . . 0.0 112.047 -178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -64.13 -46.73 82.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.931 -0.708 . . . . 0.0 111.074 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.482 ' O ' ' O ' ' A' ' 22' ' ' GLU . 22.8 t -60.79 -40.94 94.47 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.352 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.44 -40.43 98.82 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.117 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -60.02 -40.05 87.98 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.502 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.7 mt-10 -121.54 153.08 38.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.061 0.458 . . . . 0.0 111.912 -178.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.2 -164.5 1.46 Allowed Glycine 0 C--N 1.331 0.297 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 27' ' ' LYS . 88.7 m-20 -71.83 135.82 46.79 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.633 ' CE ' ' NE2' ' A' ' 16' ' ' HIS . 42.3 tttm -60.28 -40.59 90.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.215 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -65.98 -32.58 74.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.266 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' A' ' 24' ' ' ASP . 98.6 mttt -116.02 146.15 42.4 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.638 0.732 . . . . 0.0 112.828 -178.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.647 HD12 ' OE1' ' A' ' 32' ' ' GLU . 16.9 tp -107.3 131.15 54.53 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.458 178.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.1 m -104.57 150.62 24.47 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -57.02 -36.54 70.57 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 118.72 -1.192 . . . . 0.0 109.895 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -55.53 -40.67 72.13 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 118.947 -1.101 . . . . 0.0 108.23 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.647 ' OE1' HD12 ' A' ' 28' ' ' LEU . 96.7 mt-10 -65.92 -37.5 86.25 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.5 tp -62.69 -45.69 91.59 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.988 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -60.23 -42.4 95.16 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.508 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.65 -42.35 95.5 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.86 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.6 tp -66.72 -44.19 82.28 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.065 -0.654 . . . . 0.0 112.045 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.49 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -68.59 -42.46 78.19 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.416 -179.613 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -64.45 -40.88 96.57 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.187 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.24 -43.24 74.42 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' OE1' ' CB ' ' B' ' 2' ' ' SER . 76.9 mm-40 -75.52 -33.8 60.76 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.611 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -95.52 143.57 26.72 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.667 0.746 . . . . 0.0 112.821 -178.757 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 44' ' ' PHE . 86.6 p -58.43 -24.42 60.14 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 177.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.568 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -45.6 -11.21 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.958 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' N ' ' O ' ' A' ' 42' ' ' SER . 56.7 t80 -46.4 -38.88 9.57 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.346 -0.941 . . . . 0.0 109.078 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 45' ' ' LEU . 2.9 mm? -59.83 -31.93 70.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.516 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.568 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 27.3 p30 -82.27 15.77 2.29 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.064 0.459 . . . . 0.0 110.032 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -53.92 -21.61 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.54 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.515 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.6 mt-30 -51.69 -157.84 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.236 0.541 . . . . 0.0 111.686 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -55.5 -23.6 26.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.541 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -51.92 -34.45 41.64 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.661 ' O ' HG12 ' A' ' 54' ' ' VAL . 42.6 t -51.82 -38.4 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.237 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -53.39 -34.52 58.0 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.914 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.96 -28.38 62.2 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.058 0.456 . . . . 0.0 110.16 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.8 p -54.0 -35.97 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -63.22 -42.1 99.22 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.718 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -63.67 -42.9 97.99 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.923 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.7 m -75.49 -30.48 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.331 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.3 ttt -55.95 -44.02 78.04 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-O 121.504 0.669 . . . . 0.0 110.136 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 62' ' ' ASP . 49.8 mtmt -61.85 -38.51 88.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.524 179.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.3 -42.46 99.38 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.884 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.89 -39.91 83.6 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.026 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.608 ' OD2' ' N ' ' A' ' 65' ' ' GLY . 21.3 t70 -94.52 121.36 36.0 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -178.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.77 -31.73 72.88 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.697 176.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.584 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -86.97 3.13 47.06 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.189 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.608 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 93.24 -3.56 72.86 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.545 ' OD1' ' OE1' ' A' ' 73' ' ' GLU . 1.8 t0 55.85 41.22 30.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 178.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.65 -37.32 60.92 Favored Glycine 0 C--N 1.312 -0.756 0 C-N-CA 117.333 -2.365 . . . . 0.0 107.928 177.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -121.89 144.74 48.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.7 t -110.58 133.27 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 120.04 -0.664 . . . . 0.0 111.651 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -103.19 157.36 17.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.274 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -53.71 -41.18 66.7 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.379 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.475 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.6 tt0 -57.08 -40.54 77.13 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.041 179.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.545 ' OE1' ' OD1' ' A' ' 66' ' ' ASP . 97.4 mt-10 -67.45 -38.36 84.35 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.235 178.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -63.17 -45.23 92.79 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.517 HG13 ' HB1' ' B' ' 79' ' ' ALA . 3.5 p -60.41 -39.23 80.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.064 -178.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 73' ' ' GLU . 28.4 m -76.27 -33.65 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.087 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.41 ' C ' HD23 ' A' ' 77' ' ' LEU . 9.3 tt -61.59 -41.04 96.85 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.977 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 75' ' ' VAL . 22.1 m -72.0 -31.96 42.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-O 121.379 0.609 . . . . 0.0 110.657 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.522 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -61.17 -35.39 76.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.913 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.67 -44.3 94.18 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.385 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.546 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.6 mp -65.63 -36.57 84.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.082 0.468 . . . . 0.0 110.055 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.678 HG23 ' CG ' ' B' ' 8' ' ' MET . 60.5 m -53.32 -37.11 61.98 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.555 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.8 t -58.81 -35.46 56.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.294 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.51 77.84 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.498 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpt -58.64 -42.09 87.52 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -59.81 -40.6 88.96 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.129 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -59.69 -41.1 89.94 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.148 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.18 -46.12 90.35 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -57.39 -34.47 68.9 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.492 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.455 ' O ' ' OXT' ' A' ' 93' ' ' SER . 71.6 t-105 -54.73 -33.63 61.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.88 -33.45 66.89 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.541 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -55.5 -34.51 64.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.558 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.455 ' OXT' ' O ' ' A' ' 90' ' ' TRP . 28.9 p . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.576 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.469 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 54.6 p -69.79 162.23 28.26 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.946 0.403 . . . . 0.0 110.547 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.61 -36.2 78.01 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.97 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 38.6 tp -60.65 -42.21 96.54 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.914 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.35 -39.18 89.01 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 120.163 -0.615 . . . . 0.0 109.94 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.4 m -62.63 -42.5 99.63 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.301 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.71 -37.76 85.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.283 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.678 ' CG ' HG23 ' A' ' 82' ' ' THR . 47.2 ttm -59.34 -42.76 92.23 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.178 0.513 . . . . 0.0 111.567 -178.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.96 -31.19 66.62 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.189 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.4 m -55.84 -37.32 68.56 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.324 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.5 mt -62.6 -41.38 98.94 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.452 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.32 -43.58 94.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.862 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -59.56 -42.97 93.62 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.773 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -73.73 -38.3 50.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.833 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.478 ' CE1' HD22 ' B' ' 28' ' ' LEU . 66.3 t80 -62.37 -49.11 76.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.325 0.583 . . . . 0.0 110.123 179.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.633 ' NE2' ' CE ' ' B' ' 25' ' ' LYS . 21.5 t-80 -64.07 -49.17 73.35 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.484 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -48.68 71.25 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.262 -0.575 . . . . 0.0 112.006 -178.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -64.17 -46.72 82.75 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.055 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.486 ' O ' ' O ' ' B' ' 22' ' ' GLU . 22.9 t -60.82 -40.9 94.48 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.381 -179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.44 -40.44 98.82 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 121.228 -0.511 . . . . 0.0 112.091 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -59.97 -40.16 88.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.512 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.7 mt-10 -121.4 153.09 38.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 111.977 -178.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.26 -164.58 1.48 Allowed Glycine 0 CA--C 1.519 0.336 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' B' ' 27' ' ' LYS . 88.5 m-20 -71.75 135.8 46.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.633 ' CE ' ' NE2' ' B' ' 16' ' ' HIS . 42.3 tttm -60.17 -40.79 91.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -65.88 -32.55 74.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.263 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' B' ' 24' ' ' ASP . 98.6 mttt -115.99 146.14 42.38 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.62 0.724 . . . . 0.0 112.81 -178.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.659 HD12 ' OE1' ' B' ' 32' ' ' GLU . 17.0 tp -107.32 131.14 54.56 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 114.946 -1.025 . . . . 0.0 108.479 178.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m -104.55 150.68 24.42 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -57.08 -36.49 70.64 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 118.697 -1.201 . . . . 0.0 109.9 -178.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -55.55 -40.71 72.26 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 118.904 -1.119 . . . . 0.0 108.16 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.659 ' OE1' HD12 ' B' ' 28' ' ' LEU . 96.7 mt-10 -65.85 -37.5 86.35 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 23.5 tp -62.57 -45.72 91.64 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.092 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -60.29 -42.38 95.36 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.513 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.65 -42.36 95.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.888 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 38.5 tp -66.72 -44.24 82.13 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.016 -0.674 . . . . 0.0 112.063 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.6 OUTLIER -68.48 -42.59 78.45 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.39 -179.592 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -64.26 -40.92 96.98 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.096 -1.042 . . . . 0.0 111.298 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.6 m -69.23 -43.3 74.31 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' A' ' 2' ' ' SER . 76.9 mm-40 -75.38 -33.88 61.05 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.612 ' N ' ' CD2' ' B' ' 41' ' ' LEU . 0.4 OUTLIER -95.37 143.66 26.55 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.673 0.749 . . . . 0.0 112.823 -178.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.569 ' O ' ' N ' ' B' ' 44' ' ' PHE . 86.8 p -58.56 -24.41 60.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.575 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -45.65 -11.12 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 114.25 -1.341 . . . . 0.0 109.912 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.569 ' N ' ' O ' ' B' ' 42' ' ' SER . 56.9 t80 -46.54 -38.86 10.0 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.95 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.498 ' N ' HD22 ' B' ' 45' ' ' LEU . 2.8 mm? -59.79 -32.01 70.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.511 178.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.575 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 27.4 p30 -82.27 15.86 2.26 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.079 0.466 . . . . 0.0 110.006 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -53.98 -21.48 8.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.587 -178.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.515 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.7 mt-30 -51.77 -157.87 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.206 0.527 . . . . 0.0 111.702 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -55.43 -23.59 25.98 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.523 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -52.02 -34.39 42.79 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.667 ' O ' HG12 ' B' ' 54' ' ' VAL . 42.9 t -51.83 -38.38 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.295 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.46 -34.47 58.02 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.946 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -28.33 62.1 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.175 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.667 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.8 p -54.05 -35.91 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -63.13 -42.13 99.44 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.782 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -63.68 -42.87 97.98 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.947 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.7 m -75.45 -30.45 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.409 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.3 ttt -55.92 -44.06 77.95 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.625 0.726 . . . . 0.0 110.151 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' B' ' 62' ' ' ASP . 49.7 mtmt -61.93 -38.56 88.89 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.438 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.17 -42.56 99.39 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.903 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.8 -39.93 83.97 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.988 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.602 ' OD2' ' N ' ' B' ' 65' ' ' GLY . 21.2 t70 -94.59 121.35 36.06 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.71 -31.79 72.98 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.688 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.582 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -86.94 3.02 47.41 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -177.103 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.602 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 93.32 -3.74 72.83 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.555 ' H ' ' ND2' ' B' ' 64' ' ' ASN . 1.8 t0 55.99 41.11 30.17 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.62 -37.35 60.85 Favored Glycine 0 C--N 1.311 -0.812 0 C-N-CA 117.355 -2.355 . . . . 0.0 107.878 177.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -121.86 144.8 48.63 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.7 t -110.62 133.37 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.612 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -103.24 157.46 17.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.211 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -53.81 -41.22 67.1 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.33 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.465 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.6 tt0 -56.9 -40.7 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.117 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.527 ' OE1' ' OD1' ' B' ' 66' ' ' ASP . 97.4 mt-10 -67.39 -38.39 84.61 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.15 178.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -63.26 -45.11 93.03 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.522 HG13 ' HB1' ' A' ' 79' ' ' ALA . 3.4 p -60.59 -39.14 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 119.88 -0.728 . . . . 0.0 111.04 -178.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 73' ' ' GLU . 28.5 m -76.23 -33.72 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.086 178.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.414 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.3 tt -61.56 -41.03 96.79 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.01 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.414 HG22 ' O ' ' B' ' 75' ' ' VAL . 22.1 m -72.03 -31.91 41.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.408 0.623 . . . . 0.0 110.701 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.517 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -61.25 -35.26 76.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.984 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.27 93.92 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.327 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.533 HD12 ' H ' ' B' ' 81' ' ' LEU . 6.6 mp -65.7 -36.52 83.85 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.071 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.691 HG23 ' CG ' ' A' ' 8' ' ' MET . 60.3 m -53.23 -37.16 61.81 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.67 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.0 t -58.8 -35.53 56.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.293 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.43 77.57 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.561 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpt -58.65 -42.14 87.67 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -59.79 -40.56 88.73 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.166 177.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -59.69 -41.05 89.86 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.179 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.23 -46.03 90.69 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -57.43 -34.52 69.03 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.53 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.456 ' O ' ' OXT' ' B' ' 93' ' ' SER . 71.6 t-105 -54.73 -33.74 61.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.74 -33.43 66.55 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -55.57 -34.5 64.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . 0.456 ' OXT' ' O ' ' B' ' 90' ' ' TRP . 29.5 p . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.647 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.71 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -69.68 163.07 26.44 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.116 0.484 . . . . 0.0 110.75 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.98 -35.69 75.56 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.408 HD23 ' C ' ' A' ' 4' ' ' LEU . 9.5 tt -61.27 -41.23 96.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.568 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.87 -39.26 90.55 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.038 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.6 m -61.59 -42.92 99.55 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.215 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -67.14 -36.42 81.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.475 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.682 ' CG ' HG23 ' B' ' 82' ' ' THR . 46.1 ttm -59.84 -43.39 94.63 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.876 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.69 -32.4 67.31 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.314 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.8 m -57.36 -36.37 71.12 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.69 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.2 mt -61.85 -42.14 98.69 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.231 -0.988 . . . . 0.0 111.394 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.9 mt -65.96 -45.94 89.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.124 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -60.31 -43.25 96.52 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.627 -0.429 . . . . 0.0 112.114 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 15' ' ' PHE . 18.0 m -72.57 -40.3 62.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.575 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.418 ' N ' HG23 ' A' ' 14' ' ' VAL . 67.1 t80 -61.76 -47.06 86.88 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.945 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.35 -46.8 84.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.324 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.89 -52.74 47.51 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.114 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.517 ' CG ' HD13 ' A' ' 36' ' ' LEU . 93.7 m-70 -62.71 -45.65 91.75 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.659 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 t -60.55 -40.51 91.83 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.041 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.45 -37.16 94.09 Favored Glycine 0 CA--C 1.524 0.628 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.554 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.81 -41.86 87.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.507 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -128.85 145.25 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.551 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.16 -164.32 54.91 Favored Glycine 0 C--N 1.331 0.288 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.86 137.57 47.61 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -61.59 -38.98 89.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 110.91 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -66.5 -34.69 78.49 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.53 147.72 48.21 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 tp -106.51 124.86 50.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.768 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -83.82 159.72 21.34 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.174 -0.61 . . . . 0.0 109.615 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -58.37 -39.17 78.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 119.634 -0.827 . . . . 0.0 110.138 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -58.03 -42.42 85.27 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.835 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.507 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 97.9 mt-10 -66.51 -38.79 87.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.917 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.409 HD21 HD13 ' A' ' 77' ' ' LEU . 32.8 tp -64.78 -43.89 91.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.823 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -60.29 -46.0 91.37 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.004 0.43 . . . . 0.0 110.93 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.05 -39.91 93.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.726 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.517 HD13 ' CG ' ' A' ' 18' ' ' HIS . 48.4 tp -61.34 -51.86 67.05 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.356 -0.538 . . . . 0.0 112.285 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.9 -37.64 72.97 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.082 -0.647 . . . . 0.0 112.512 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.455 ' NE2' ' HB1' ' A' ' 47' ' ' ALA . 63.2 tt0 -61.73 -46.24 90.5 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 118.923 -1.111 . . . . 0.0 111.122 -178.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.2 m -75.76 -48.45 21.72 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -76.68 -33.19 58.26 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.972 HD23 ' H ' ' A' ' 43' ' ' GLY . 5.1 tt -96.98 143.31 27.96 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.332 0.587 . . . . 0.0 110.604 -177.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.584 ' O ' ' N ' ' A' ' 44' ' ' PHE . 25.6 t -49.2 -24.81 1.9 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.721 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.972 ' H ' HD23 ' A' ' 41' ' ' LEU . . . -44.41 -11.59 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.584 ' N ' ' O ' ' A' ' 42' ' ' SER . 65.8 t80 -49.29 -40.83 36.21 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.94 -35.76 71.57 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' GLY . 88.8 m-20 -80.42 9.4 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.359 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.517 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -58.09 -24.92 60.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.519 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.64 ' O ' HG12 ' A' ' 51' ' ' VAL . 93.8 mt-30 -53.22 -157.4 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -57.04 -27.63 61.83 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.508 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.77 -34.6 62.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.125 0.488 . . . . 0.0 109.743 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 48' ' ' GLN . 5.3 p -52.93 -29.73 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.933 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.31 -35.37 62.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.68 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.63 -27.83 59.23 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.078 0.466 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.9 p -52.61 -37.74 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.17 -41.45 97.12 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 119.624 -0.83 . . . . 0.0 110.159 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.95 -40.3 97.27 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.5 m -71.61 -31.67 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 119.779 -0.768 . . . . 0.0 112.023 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.4 mmm -58.35 -37.32 74.94 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.786 -0.365 . . . . 0.0 111.693 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.27 -44.42 95.35 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.873 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.63 -40.5 84.63 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.882 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.45 -36.62 81.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.765 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.529 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 42.7 t0 -85.93 105.42 16.39 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.529 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.16 -37.43 83.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.52 0.676 . . . . 0.0 109.376 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -58.84 -37.49 76.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.191 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.62 6.89 88.86 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 107.994 -2.042 . . . . 0.0 107.994 -177.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.2 p30 -63.13 -33.78 76.2 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 114.218 -0.991 . . . . 0.0 112.942 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.46 -3.98 66.39 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.496 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 95.7 mt-10 -111.23 154.09 24.92 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.8 m -124.37 149.69 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-O 122.18 0.99 . . . . 0.0 112.862 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -106.86 166.49 10.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 113.55 -1.659 . . . . 0.0 108.351 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -51.34 -41.49 60.63 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.784 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.481 ' O ' HG12 ' A' ' 75' ' ' VAL . 51.3 tt0 -59.63 -42.7 93.31 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.574 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.457 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.7 mt-10 -68.68 -38.15 80.12 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 119.614 -0.834 . . . . 0.0 110.465 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -62.21 -44.89 95.56 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.394 -0.821 . . . . 0.0 113.16 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.6 p -60.5 -39.26 80.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 119.846 -0.741 . . . . 0.0 111.126 -178.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 73' ' ' GLU . 30.4 m -75.73 -33.47 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.838 178.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.409 HD13 HD21 ' A' ' 33' ' ' LEU . 9.5 tt -60.89 -42.45 98.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.7 m -73.52 -32.34 35.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.833 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.33 87.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.066 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.19 95.43 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.912 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.35 -36.04 82.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.432 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.683 HG23 ' CG ' ' B' ' 8' ' ' MET . 68.7 m -52.84 -38.35 61.33 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.818 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 80.1 t -60.24 -35.51 62.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.25 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.89 -38.92 90.13 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.887 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.403 ' HE1' HD12 ' B' ' 12' ' ' ILE . 10.2 ttp -59.74 -38.91 83.05 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 119.627 -0.829 . . . . 0.0 108.825 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -58.33 -41.87 85.55 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.258 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -60.81 -41.63 96.07 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.487 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.65 -41.03 94.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.413 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -52.96 -39.06 62.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.015 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.32 -35.62 62.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.473 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.98 -33.07 73.64 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.547 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.569 ' O ' ' CB ' ' A' ' 93' ' ' SER . 26.9 t30 -102.0 128.38 48.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.431 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 92' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.711 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.592 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -69.72 163.08 26.48 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.128 0.489 . . . . 0.0 110.705 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.91 -35.7 75.44 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.416 ' C ' HD23 ' B' ' 4' ' ' LEU . 9.6 tt -61.36 -41.13 96.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.197 -0.601 . . . . 0.0 109.603 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.87 -39.27 90.54 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.071 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.4 m -61.6 -42.94 99.59 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.214 -0.594 . . . . 0.0 110.215 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.609 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -67.09 -36.43 81.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.509 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.683 ' CG ' HG23 ' A' ' 82' ' ' THR . 46.1 ttm -59.8 -43.41 94.48 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.852 -178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.71 -32.41 67.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.325 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.8 m -57.32 -36.34 70.99 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.678 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.0 mt -61.97 -42.03 98.67 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 119.241 -0.983 . . . . 0.0 111.434 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.403 HD12 ' HE1' ' A' ' 85' ' ' MET . 74.0 mt -66.01 -45.94 89.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.123 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -60.28 -43.27 96.37 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.553 -0.459 . . . . 0.0 112.057 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.422 HG23 ' N ' ' B' ' 15' ' ' PHE . 18.0 m -72.62 -40.26 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.563 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.422 ' N ' HG23 ' B' ' 14' ' ' VAL . 67.1 t80 -61.76 -47.15 86.49 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.973 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.29 -46.72 85.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.348 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.94 -52.65 47.85 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.166 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.519 ' CG ' HD13 ' B' ' 36' ' ' LEU . 93.6 m-70 -62.76 -45.73 91.35 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.62 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.7 t -60.43 -40.63 91.78 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.379 -0.529 . . . . 0.0 110.022 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.38 -37.22 94.19 Favored Glycine 0 CA--C 1.523 0.588 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.561 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.81 -41.78 87.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.499 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -128.85 145.26 51.25 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.573 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.19 -164.42 54.91 Favored Glycine 0 CA--C 1.518 0.251 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -71.83 137.63 47.69 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -61.61 -38.89 89.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.103 0.478 . . . . 0.0 110.905 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -66.62 -34.74 78.55 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -124.48 147.83 48.09 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 tp -106.58 124.77 50.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.55 -1.204 . . . . 0.0 108.851 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 53.7 p -83.68 159.73 21.47 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.643 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -58.43 -39.06 78.76 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.559 -0.857 . . . . 0.0 110.171 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -58.11 -42.44 85.75 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.951 -0.699 . . . . 0.0 109.758 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.499 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 97.9 mt-10 -66.47 -38.83 88.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.863 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.408 HD21 HD13 ' B' ' 77' ' ' LEU . 32.8 tp -64.81 -43.83 91.86 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.855 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -60.34 -45.99 91.51 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-O 120.994 0.426 . . . . 0.0 110.9 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.17 -39.77 93.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.754 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.519 HD13 ' CG ' ' B' ' 18' ' ' HIS . 48.3 tp -61.31 -51.87 67.06 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.368 -0.533 . . . . 0.0 112.277 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 42.9 mt -70.97 -37.67 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.02 -0.672 . . . . 0.0 112.392 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.459 ' NE2' ' HB1' ' B' ' 47' ' ' ALA . 63.3 tt0 -61.67 -46.3 90.33 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 118.869 -1.132 . . . . 0.0 111.094 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.4 m -75.69 -48.5 21.72 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -76.63 -33.14 58.37 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.998 HD23 ' H ' ' B' ' 43' ' ' GLY . 5.1 tt -97.12 143.38 27.99 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.398 0.618 . . . . 0.0 110.549 -177.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.599 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.1 t -49.1 -24.84 1.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.717 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.998 ' H ' HD23 ' B' ' 41' ' ' LEU . . . -44.38 -11.63 0.02 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.599 ' N ' ' O ' ' B' ' 42' ' ' SER . 65.8 t80 -49.33 -40.85 36.72 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 28.8 tp -57.94 -35.83 71.67 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' B' ' 43' ' ' GLY . 88.7 m-20 -80.23 9.26 5.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.509 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -58.09 -24.88 60.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.545 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.653 ' O ' HG12 ' B' ' 51' ' ' VAL . 93.8 mt-30 -53.18 -157.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -57.0 -27.63 61.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.441 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -54.82 -34.57 62.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.119 0.485 . . . . 0.0 109.734 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.653 HG12 ' O ' ' B' ' 48' ' ' GLN . 5.3 p -52.89 -29.7 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.934 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.33 -35.42 62.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.783 0.325 . . . . 0.0 110.654 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.66 -27.84 59.48 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.044 0.449 . . . . 0.0 109.95 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.629 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.9 p -52.64 -37.71 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -64.23 -41.38 97.03 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.679 -0.808 . . . . 0.0 110.113 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.97 -40.32 97.35 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.4 HG22 ' O ' ' B' ' 54' ' ' VAL . 10.4 m -71.57 -31.66 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 119.778 -0.769 . . . . 0.0 112.028 -178.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.4 mmm -58.36 -37.3 74.92 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.793 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.37 -44.3 95.73 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.842 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.67 -40.57 84.44 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.83 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 76.9 mt -67.42 -36.6 81.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.856 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.535 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 42.7 t0 -86.0 105.45 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.575 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.16 -37.32 83.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.468 0.651 . . . . 0.0 109.441 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -58.84 -37.54 76.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.072 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.49 7.03 88.78 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 108.015 -2.034 . . . . 0.0 108.015 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.2 p30 -63.1 -33.88 76.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 114.174 -1.013 . . . . 0.0 112.979 -179.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.6 -4.02 66.08 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.5 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 95.7 mt-10 -111.24 154.17 24.82 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 32.5 m -124.46 149.77 28.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 122.075 0.941 . . . . 0.0 112.786 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -106.98 166.56 10.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.276 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -51.24 -41.61 60.46 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.436 -0.906 . . . . 0.0 109.769 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.479 ' O ' HG12 ' B' ' 75' ' ' VAL . 51.2 tt0 -59.66 -42.71 93.45 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.482 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.457 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.7 mt-10 -68.72 -38.09 79.97 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 119.609 -0.837 . . . . 0.0 110.422 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -62.22 -44.84 95.66 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.479 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.6 p -60.51 -39.38 81.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.052 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 73' ' ' GLU . 30.1 m -75.63 -33.51 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.755 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.408 HD13 HD21 ' B' ' 33' ' ' LEU . 9.4 tt -60.9 -42.43 98.01 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.047 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.9 m -73.57 -32.32 35.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.752 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.68 -38.45 87.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.022 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.71 -42.0 95.59 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.99 -0.684 . . . . 0.0 109.967 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 mt -64.4 -36.02 82.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.412 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.682 HG23 ' CG ' ' A' ' 8' ' ' MET . 71.0 m -52.91 -38.34 61.7 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.827 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 78.6 t -60.22 -35.52 62.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.259 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.9 90.11 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.926 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 10.2 ttp -59.73 -38.85 82.82 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.573 -0.851 . . . . 0.0 108.854 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -58.48 -41.67 85.8 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.278 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -60.96 -41.59 96.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.7 -40.99 94.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.327 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -53.03 -39.01 62.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.947 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.38 -35.61 63.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.437 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.04 -32.93 73.49 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.573 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' B' ' 93' ' ' SER . 26.9 t30 -102.16 128.38 48.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.418 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' B' ' 92' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.748 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 m -63.02 153.91 32.39 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 120.977 0.418 . . . . 0.0 110.619 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.16 -35.86 78.24 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.9 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.66 -42.76 93.58 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.5 -41.36 93.29 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.569 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -61.55 -42.68 99.19 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.785 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.518 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -67.53 -40.01 85.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.709 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.691 ' CG ' HG23 ' B' ' 82' ' ' THR . 47.4 ttm -60.71 -44.77 96.17 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.1 -32.13 67.8 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.318 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.517 HG21 ' HB2' ' B' ' 7' ' ' ALA . 39.6 m -56.97 -37.07 71.08 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.22 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.1 -41.72 99.44 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.175 -1.01 . . . . 0.0 110.728 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.36 -44.47 94.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.015 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -60.73 -41.44 95.35 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.849 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.421 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 25.4 m -73.19 -39.28 56.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 C-N-CA 119.735 -0.786 . . . . 0.0 110.307 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -61.19 -47.93 83.89 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.001 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -62.9 -46.63 86.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.178 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.78 -49.1 69.55 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 120.099 -0.64 . . . . 0.0 112.022 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.578 ' CD2' ' OE2' ' A' ' 40' ' ' GLU . 85.3 m-70 -63.23 -49.03 75.79 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.632 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.539 ' OG ' HD13 ' A' ' 28' ' ' LEU . 19.4 m -62.32 -39.99 94.88 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.058 0.456 . . . . 0.0 111.18 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.21 -35.51 92.17 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-N 115.48 -0.782 . . . . 0.0 113.301 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -58.3 -40.93 83.31 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -127.44 152.45 47.52 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.923 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.97 -160.42 26.22 Favored Glycine 0 CA--C 1.521 0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.696 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -72.16 138.36 47.61 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.91 -38.29 85.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.287 0.565 . . . . 0.0 110.469 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -66.82 -32.7 74.15 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -114.99 146.22 41.45 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -177.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.733 HD12 ' OE1' ' A' ' 32' ' ' GLU . 12.9 tp -105.24 131.54 52.57 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.33 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.1 t -103.03 148.89 25.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.589 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 38.4 tttt -55.48 -36.92 67.13 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 118.863 -1.135 . . . . 0.0 109.97 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -55.41 -40.72 71.81 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.733 ' OE1' HD12 ' A' ' 28' ' ' LEU . 97.6 mt-10 -66.1 -37.22 85.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 177.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.5 tp -63.34 -46.73 85.28 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.692 -178.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.504 ' CE ' ' NZ ' ' A' ' 30' ' ' LYS . 97.9 mttt -59.7 -44.06 93.84 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 118.055 -1.458 . . . . 0.0 110.341 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -65.83 -37.21 85.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.433 HD21 ' OE1' ' A' ' 40' ' ' GLU . 8.5 tt -63.7 -44.34 93.96 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -69.69 -42.54 73.98 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.705 179.169 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.82 -43.34 96.52 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 119.395 -0.922 . . . . 0.0 111.908 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.0 m -71.56 -44.18 65.01 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.578 ' OE2' ' CD2' ' A' ' 18' ' ' HIS . 96.4 mt-10 -75.72 -33.21 60.28 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -177.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.642 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.9 tp -101.1 126.71 47.81 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 119.587 -0.845 . . . . 0.0 112.447 -176.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.51 ' C ' ' N ' ' A' ' 44' ' ' PHE . 86.5 p -60.44 -26.64 66.88 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.36 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.642 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -47.98 -13.41 0.2 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.51 ' N ' ' C ' ' A' ' 42' ' ' SER . 88.3 t80 -50.67 -40.15 52.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.278 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.2 tp -57.61 -41.42 81.25 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.187 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -107.6 4.78 26.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 43' ' ' GLY . . . -64.06 -29.25 70.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.851 ' O ' HG22 ' A' ' 51' ' ' VAL . 93.1 mt-30 -7.58 -98.05 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 41.6 pttt -57.76 -35.23 70.47 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -54.75 -29.44 53.86 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.102 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.851 HG22 ' O ' ' A' ' 48' ' ' GLN . 13.8 m -54.33 -34.9 28.92 Favored 'Isoleucine or valine' 0 C--N 1.337 0.034 0 C-N-CA 119.593 -0.843 . . . . 0.0 110.37 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.9 p30 -59.79 -33.18 71.37 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.445 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.669 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -56.85 -27.14 59.86 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.77 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.0 t -55.41 -40.3 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.0 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.589 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 89.5 m-20 -63.31 -42.6 99.03 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 119.411 -0.916 . . . . 0.0 111.144 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.91 -41.28 97.72 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.3 m -73.56 -34.17 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.26 -38.46 76.97 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.609 -0.837 . . . . 0.0 111.72 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.63 -44.9 96.12 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.915 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -68.21 -43.5 77.88 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.02 -37.57 84.4 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.528 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 45.9 t0 -87.93 104.94 17.1 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.466 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -68.44 -35.51 77.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.503 0.668 . . . . 0.0 109.615 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -59.17 -38.82 80.71 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.103 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.3 6.99 88.96 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 107.94 -2.064 . . . . 0.0 107.94 -177.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.661 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 46.8 p30 -63.13 -33.84 76.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.234 -0.983 . . . . 0.0 113.052 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.661 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.75 -5.44 66.74 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.513 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 96.0 mt-10 -112.19 154.37 25.65 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.4 m -124.6 150.27 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.92 0.867 . . . . 0.0 112.435 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -104.62 163.73 12.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 113.884 -1.507 . . . . 0.0 108.585 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -51.53 -40.95 60.62 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.754 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.482 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.0 tt0 -58.85 -41.76 87.74 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.149 -0.62 . . . . 0.0 111.161 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.3 mt-10 -68.61 -39.06 81.0 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.356 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -63.06 -44.61 95.34 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 72' ' ' GLN . 4.0 p -59.44 -39.24 78.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.616 -178.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 73' ' ' GLU . 34.2 m -75.22 -32.94 27.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 119.797 -0.761 . . . . 0.0 109.536 177.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.453 ' C ' HD23 ' A' ' 77' ' ' LEU . 10.0 tt -59.19 -42.76 91.64 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.812 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 75' ' ' VAL . 22.2 m -73.7 -32.11 34.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.239 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.17 85.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.333 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.31 95.65 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.049 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 mt -64.62 -35.76 82.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.488 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.68 HG23 ' CG ' ' B' ' 8' ' ' MET . 56.6 m -52.9 -37.3 60.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.695 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.2 t -58.96 -35.78 58.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.277 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.72 -37.16 80.81 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.673 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -59.29 -38.63 80.66 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.606 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -58.09 -44.28 87.55 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.124 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -63.04 -41.21 99.44 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.208 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.598 ' CZ ' ' OE2' ' A' ' 91' ' ' GLU . 67.7 t80 -60.74 -43.8 97.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.725 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -54.29 -36.92 64.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.376 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -52.48 -31.21 33.9 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.339 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.598 ' OE2' ' CZ ' ' A' ' 88' ' ' PHE . 15.9 pt-20 -58.76 -29.15 66.55 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.37 -178.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -56.07 -34.5 66.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.516 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.581 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.692 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.5 m -63.06 154.01 32.19 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.941 0.401 . . . . 0.0 110.642 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.24 -35.8 78.23 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.929 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 14.0 tp -59.7 -42.66 93.5 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.63 -41.3 92.83 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.439 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -61.6 -42.73 99.28 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.719 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.517 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -67.55 -40.03 84.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.661 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.68 ' CG ' HG23 ' A' ' 82' ' ' THR . 47.4 ttm -60.7 -44.68 96.26 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.26 -32.1 68.05 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.287 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.518 HG21 ' HB2' ' A' ' 7' ' ' ALA . 39.0 m -56.91 -37.15 71.03 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.211 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.13 -41.71 99.36 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.164 -1.014 . . . . 0.0 110.735 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.19 -44.58 95.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.047 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.76 -41.35 95.27 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.847 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.423 ' O ' ' CD2' ' B' ' 18' ' ' HIS . 25.2 m -73.18 -39.38 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.323 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -61.13 -47.84 84.37 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.069 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.02 -46.59 86.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.169 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.86 -48.96 69.82 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.975 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.578 ' CD2' ' OE2' ' B' ' 40' ' ' GLU . 85.5 m-70 -63.33 -49.06 75.43 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.987 -0.685 . . . . 0.0 111.601 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.534 ' OG ' HD13 ' B' ' 28' ' ' LEU . 19.3 m -62.24 -40.05 94.89 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.228 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.15 -35.57 92.26 Favored Glycine 0 CA--C 1.524 0.651 0 CA-C-N 115.392 -0.822 . . . . 0.0 113.252 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -58.3 -40.99 83.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -127.33 152.39 47.53 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.948 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.03 -160.39 26.56 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -72.21 138.4 47.52 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -60.91 -38.2 84.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.212 0.53 . . . . 0.0 110.518 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -66.92 -32.71 74.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -178.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -114.92 146.05 41.56 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.734 HD12 ' OE1' ' B' ' 32' ' ' GLU . 12.9 tp -105.1 131.45 52.58 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.347 178.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.3 t -102.98 148.86 25.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.587 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 38.5 tttt -55.41 -36.89 66.93 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 118.906 -1.118 . . . . 0.0 109.978 -178.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -55.48 -40.64 71.95 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.734 ' OE1' HD12 ' B' ' 28' ' ' LEU . 97.6 mt-10 -66.18 -37.14 84.91 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.37 -46.65 85.53 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.68 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.498 ' CE ' ' NZ ' ' B' ' 30' ' ' LYS . 98.0 mttt -59.73 -44.11 93.89 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 118.092 -1.443 . . . . 0.0 110.297 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -65.82 -37.25 85.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.021 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.426 HD21 ' OE1' ' B' ' 40' ' ' GLU . 8.5 tt -63.7 -44.32 94.0 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -69.72 -42.59 73.8 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.687 179.193 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.78 -43.36 96.6 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.886 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -71.51 -44.23 65.02 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.578 ' OE2' ' CD2' ' B' ' 18' ' ' HIS . 96.3 mt-10 -75.66 -33.27 60.42 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -177.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.634 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.8 tp -101.03 126.71 47.73 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 119.612 -0.835 . . . . 0.0 112.478 -176.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.513 ' C ' ' H ' ' B' ' 44' ' ' PHE . 86.9 p -60.45 -26.72 66.96 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.344 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.634 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -47.92 -13.39 0.19 Allowed Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.513 ' H ' ' C ' ' B' ' 42' ' ' SER . 88.5 t80 -50.69 -40.1 53.02 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 120.641 -0.423 . . . . 0.0 111.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.4 tp -57.7 -41.42 81.64 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.133 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -107.6 4.95 26.47 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' B' ' 43' ' ' GLY . . . -64.15 -29.18 70.31 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -178.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.867 ' O ' HG22 ' B' ' 51' ' ' VAL . 93.2 mt-30 -7.64 -97.99 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 41.6 pttt -57.79 -35.28 70.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.75 -29.4 53.77 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.056 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.867 HG22 ' O ' ' B' ' 48' ' ' GLN . 13.9 m -54.37 -34.86 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.379 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 52.0 p30 -59.8 -33.17 71.38 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.457 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.669 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.01 -26.96 61.16 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.747 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -55.42 -40.37 57.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.014 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.587 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 89.3 m-20 -63.34 -42.51 98.95 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 119.465 -0.894 . . . . 0.0 111.156 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.96 -41.35 97.6 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 16.2 m -73.59 -34.05 40.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.36 -38.38 77.13 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 119.668 -0.813 . . . . 0.0 111.746 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.71 -44.82 96.19 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.945 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -68.25 -43.52 77.68 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.0 -37.59 84.47 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.541 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 45.8 t0 -87.88 104.98 17.11 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.835 -0.746 . . . . 0.0 111.486 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 60.8 mp0 -68.51 -35.5 77.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.452 0.644 . . . . 0.0 109.604 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -59.19 -38.77 80.65 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.117 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.26 6.97 88.96 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.659 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.0 p30 -63.16 -33.74 76.13 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 114.125 -1.038 . . . . 0.0 113.076 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.659 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.75 -5.42 66.73 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.502 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 96.0 mt-10 -112.2 154.4 25.61 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 19.5 m -124.61 150.25 29.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.965 0.888 . . . . 0.0 112.373 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -104.64 163.72 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 113.892 -1.504 . . . . 0.0 108.525 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -51.51 -41.08 60.75 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.666 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.481 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.0 tt0 -58.74 -41.69 87.07 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.221 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.451 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.4 mt-10 -68.73 -39.01 80.59 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 119.596 -0.841 . . . . 0.0 110.394 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -63.13 -44.63 95.04 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.481 HG12 ' O ' ' B' ' 72' ' ' GLN . 4.0 p -59.5 -39.17 78.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.644 -178.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.451 HG22 ' O ' ' B' ' 73' ' ' GLU . 34.3 m -75.19 -32.99 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 119.823 -0.751 . . . . 0.0 109.456 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.454 HD23 ' C ' ' B' ' 77' ' ' LEU . 10.0 tt -59.25 -42.77 91.89 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.796 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.403 HG22 ' O ' ' B' ' 75' ' ' VAL . 21.9 m -73.55 -32.25 35.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 121.252 0.548 . . . . 0.0 111.228 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.12 85.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.389 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.32 95.58 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.942 -0.703 . . . . 0.0 109.976 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.2 mt -64.67 -35.76 82.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.324 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.691 HG23 ' CG ' ' A' ' 8' ' ' MET . 56.7 m -52.95 -37.16 60.77 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.727 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.14 -35.65 58.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.291 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.67 -37.18 80.74 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.749 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -59.38 -38.44 80.51 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.61 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -58.26 -44.2 88.25 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.112 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -63.01 -41.24 99.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.216 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.595 ' CZ ' ' OE2' ' B' ' 91' ' ' GLU . 67.6 t80 -60.75 -43.82 97.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.732 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -54.23 -37.01 64.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.315 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -52.53 -31.05 33.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.364 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.595 ' OE2' ' CZ ' ' B' ' 88' ' ' PHE . 15.9 pt-20 -58.91 -29.09 66.8 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.288 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -56.15 -34.37 66.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.571 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.6 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -109.63 147.93 32.21 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.776 0.322 . . . . 0.0 110.465 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.53 -36.28 78.03 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.934 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.12 -42.84 95.62 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.82 -41.85 91.34 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.769 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.1 m -61.89 -42.71 99.39 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.5 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -67.57 -39.46 84.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.557 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.685 ' CG ' HG23 ' B' ' 82' ' ' THR . 47.2 ttm -60.26 -43.64 96.0 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.879 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.34 -31.53 67.66 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.243 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.516 HG21 ' HB2' ' B' ' 7' ' ' ALA . 38.5 m -56.3 -37.36 69.78 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.032 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 mt -62.3 -41.89 98.9 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 118.863 -1.135 . . . . 0.0 110.135 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.5 mt -66.39 -41.59 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.078 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -59.92 -44.0 94.56 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.671 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.506 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 24.3 m -74.71 -39.85 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.401 ' CE1' HD22 ' A' ' 28' ' ' LEU . 66.7 t80 -62.97 -49.77 73.4 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.254 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -64.7 -47.66 77.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.51 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.83 61.87 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 119.995 -0.682 . . . . 0.0 111.653 -178.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.602 ' CG ' HD13 ' A' ' 36' ' ' LEU . 77.4 m80 -61.92 -46.2 90.36 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.262 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 t -61.41 -41.46 97.18 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.08 0.467 . . . . 0.0 110.859 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.505 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . . . -63.13 -39.33 97.85 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.966 -179.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -59.96 -42.57 94.37 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.503 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.2 mt-10 -129.59 148.97 51.54 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.855 -179.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.29 -164.92 53.75 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.41 136.81 49.9 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.505 ' NZ ' ' O ' ' A' ' 20' ' ' GLY . 59.9 mmtt -61.04 -40.96 95.6 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.418 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -69.44 -33.1 72.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -117.77 151.85 36.48 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.401 HD22 ' CE1' ' A' ' 15' ' ' PHE . 30.2 tp -101.11 134.67 43.77 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.633 178.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -103.32 150.66 23.55 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.486 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 68.1 tttt -56.73 -36.96 70.34 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.381 -0.927 . . . . 0.0 110.421 -178.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -55.61 -41.29 73.24 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 118.77 -1.172 . . . . 0.0 107.941 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.503 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 47.7 mt-10 -67.2 -37.69 84.06 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 120.161 -0.616 . . . . 0.0 109.932 177.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.7 tp -64.59 -48.14 76.06 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.531 -178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -60.95 -45.86 93.04 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.913 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.85 -39.14 93.09 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.283 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.71 HD11 ' OE2' ' A' ' 40' ' ' GLU . 34.1 tp -63.99 -47.1 81.66 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.43 -0.508 . . . . 0.0 112.121 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -70.45 -41.48 72.77 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.816 179.552 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.94 -43.02 97.13 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.744 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.5 m -71.38 -44.16 65.51 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.71 ' OE2' HD11 ' A' ' 36' ' ' LEU . 97.1 mt-10 -75.74 -32.65 60.09 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -177.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.591 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 17.3 tp -99.53 126.39 45.48 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 119.78 -0.768 . . . . 0.0 112.725 -176.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' PHE . 22.8 t -57.78 -31.38 66.48 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.77 178.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.591 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -46.26 -14.97 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 42' ' ' SER . 87.2 t80 -51.18 -39.34 56.2 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.049 -0.661 . . . . 0.0 111.51 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.11 -39.97 76.12 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.638 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.52 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 43.9 p30 -97.01 10.51 39.05 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.557 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -60.01 -37.63 80.28 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.732 -178.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.557 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.9 mt-30 22.14 -145.0 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.598 0.561 . . . . 0.0 111.872 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -59.42 -26.91 65.56 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.083 0.468 . . . . 0.0 109.805 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -54.57 -33.14 59.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.924 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.628 ' O ' HG12 ' A' ' 54' ' ' VAL . 6.4 p -53.13 -31.29 17.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.494 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -54.98 -35.87 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.729 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.62 -27.55 58.5 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.034 0.445 . . . . 0.0 109.858 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.1 p -51.89 -37.5 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.486 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 88.5 m-20 -65.23 -41.57 94.27 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.411 178.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -62.67 -39.84 95.19 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 54' ' ' VAL . 13.7 m -70.76 -30.73 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 119.995 -0.682 . . . . 0.0 112.049 -178.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.7 mmm -56.68 -38.71 72.6 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.32 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.26 -44.5 97.14 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.881 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -67.74 -43.32 80.22 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.288 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.15 -36.77 82.54 Favored 'General case' 0 CA--C 1.52 -0.176 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.52 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 47.9 t0 -85.71 103.9 14.93 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.169 -179.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.01 -35.47 78.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.44 0.638 . . . . 0.0 109.527 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -59.1 -38.75 80.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.599 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.49 4.85 90.09 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 107.849 -2.1 . . . . 0.0 107.849 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.651 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.5 p30 -63.74 -33.27 75.27 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.123 -1.038 . . . . 0.0 112.522 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.651 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.32 -2.99 63.58 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -109.1 152.45 25.05 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 t -108.15 133.44 53.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.641 0.734 . . . . 0.0 112.141 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -100.01 159.98 14.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.37 -1.286 . . . . 0.0 107.951 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -51.77 -42.34 62.32 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.095 -1.042 . . . . 0.0 110.001 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.28 -41.52 89.09 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.604 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.453 ' O ' HG22 ' A' ' 76' ' ' VAL . 95.9 mt-10 -68.78 -39.03 80.41 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.321 0.581 . . . . 0.0 110.82 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -63.85 -45.51 89.17 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.452 HG13 ' HB1' ' B' ' 79' ' ' ALA . 3.6 p -60.22 -39.7 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.562 -178.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 73' ' ' GLU . 30.1 m -74.54 -33.29 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.694 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.423 ' C ' HD23 ' A' ' 77' ' ' LEU . 10.0 tt -60.11 -42.1 94.03 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.045 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 75' ' ' VAL . 23.3 m -73.03 -31.77 36.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 120.369 -0.533 . . . . 0.0 111.52 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.445 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -60.86 -37.6 82.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.71 -178.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.86 -43.8 91.79 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.597 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.486 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.3 mp -65.84 -35.09 79.7 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 120.877 0.37 . . . . 0.0 110.368 178.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.681 HG23 ' CG ' ' B' ' 8' ' ' MET . 67.5 m -52.13 -38.63 58.1 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.83 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.81 -35.75 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.595 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.89 94.88 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.298 -0.561 . . . . 0.0 111.15 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 47.9 ttp -60.14 -38.03 81.86 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 119.362 -0.935 . . . . 0.0 108.79 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.72 -42.39 88.6 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.791 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.36 -42.52 98.84 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -60.99 -40.35 93.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.344 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -53.48 -38.98 64.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.903 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -53.92 -34.89 60.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.094 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.19 -33.04 67.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.226 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -102.99 136.79 42.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.409 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.555 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -109.8 147.93 32.39 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.36 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.53 -36.26 77.99 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.9 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.18 -42.8 95.76 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.8 -41.79 91.5 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.837 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -61.8 -42.86 99.54 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.815 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.516 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -67.45 -39.38 85.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.61 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.681 ' CG ' HG23 ' A' ' 82' ' ' THR . 47.2 ttm -60.35 -43.62 96.3 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.877 -178.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.37 -31.52 67.72 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.247 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.5 HG21 ' HB2' ' A' ' 7' ' ' ALA . 38.5 m -56.29 -37.27 69.64 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.101 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 mt -62.4 -41.84 98.98 Favored 'General case' 0 C--N 1.343 0.302 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.129 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -66.53 -41.48 88.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.039 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.01 -43.91 94.92 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.657 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.514 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 24.6 m -74.71 -39.88 46.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -62.95 -49.79 73.37 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.264 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -64.63 -47.77 77.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.54 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.41 -50.93 61.77 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 120.02 -0.672 . . . . 0.0 111.697 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.601 ' CG ' HD13 ' B' ' 36' ' ' LEU . 77.4 m80 -61.85 -46.25 90.26 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.331 -0.547 . . . . 0.0 111.289 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.6 t -61.37 -41.33 96.92 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.436 ' O ' ' NZ ' ' B' ' 25' ' ' LYS . . . -63.23 -39.27 97.7 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.944 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -59.97 -42.66 94.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.498 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.2 mt-10 -129.51 148.99 51.47 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.808 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.37 -164.99 53.73 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -70.36 136.72 49.93 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.436 ' NZ ' ' O ' ' B' ' 20' ' ' GLY . 60.0 mmtt -60.91 -41.11 95.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.11 0.481 . . . . 0.0 110.338 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -69.39 -33.13 72.58 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -117.63 151.78 36.51 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -177.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.6 tp -101.07 134.71 43.67 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 114.488 -1.233 . . . . 0.0 109.699 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -103.35 150.6 23.64 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.508 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 68.0 tttt -56.62 -37.0 70.09 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.485 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.53 -41.4 73.14 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 118.846 -1.141 . . . . 0.0 107.961 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.498 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 47.8 mt-10 -67.16 -37.68 84.18 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.965 177.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.63 -48.25 75.53 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.451 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -60.8 -45.97 92.32 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.945 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.74 -39.07 93.02 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.332 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.7 HD11 ' OE2' ' B' ' 40' ' ' GLU . 34.2 tp -64.11 -47.04 81.53 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.472 -0.491 . . . . 0.0 112.071 -178.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.9 OUTLIER -70.45 -41.61 72.59 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.723 179.599 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.89 -43.04 97.19 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 119.712 -0.795 . . . . 0.0 111.783 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.7 m -71.36 -44.18 65.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.7 ' OE2' HD11 ' B' ' 36' ' ' LEU . 97.2 mt-10 -75.75 -32.61 60.06 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.593 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 17.2 tp -99.56 126.38 45.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 119.763 -0.775 . . . . 0.0 112.692 -176.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.491 ' O ' ' N ' ' B' ' 44' ' ' PHE . 22.7 t -57.77 -31.42 66.5 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.756 178.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.593 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -46.15 -15.02 0.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' B' ' 42' ' ' SER . 87.4 t80 -51.13 -39.37 56.1 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.568 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 28.9 tp -57.13 -39.9 76.07 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.607 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.515 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 43.9 p30 -97.15 10.54 39.13 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.556 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -60.03 -37.71 80.6 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.707 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.556 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.9 mt-30 22.14 -145.06 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.554 0.534 . . . . 0.0 111.907 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -59.41 -26.75 65.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.084 0.469 . . . . 0.0 109.87 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -54.7 -33.15 60.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.917 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.631 ' O ' HG12 ' B' ' 54' ' ' VAL . 6.4 p -53.07 -31.32 17.33 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.489 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.04 -35.74 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.757 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.74 -27.35 59.15 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.136 0.494 . . . . 0.0 109.887 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.631 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.2 p -52.0 -37.59 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.508 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 87.9 m-20 -65.12 -41.51 94.79 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.51 178.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -62.81 -39.71 95.14 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.428 HG22 ' O ' ' B' ' 54' ' ' VAL . 13.5 m -70.74 -30.95 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.966 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.7 mmm -56.62 -38.72 72.49 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.283 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -61.3 -44.5 97.11 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.746 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -67.72 -43.33 80.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.314 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.1 -36.86 82.86 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 47.9 t0 -85.72 103.95 14.98 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 119.822 -0.751 . . . . 0.0 111.205 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.98 -35.49 78.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.392 0.615 . . . . 0.0 109.539 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -59.12 -38.74 80.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.604 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.51 4.83 90.11 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 107.813 -2.115 . . . . 0.0 107.813 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.647 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 48.0 p30 -63.76 -33.2 75.14 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.205 -0.998 . . . . 0.0 112.465 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.647 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.33 -3.1 63.62 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.616 -0.993 . . . . 0.0 110.616 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -109.01 152.4 25.04 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 34.3 t -108.13 133.33 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.65 0.738 . . . . 0.0 112.172 -177.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -99.9 159.95 14.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.022 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -51.72 -42.35 62.2 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.146 -1.021 . . . . 0.0 110.01 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.28 -41.51 89.07 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.604 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.447 ' O ' HG22 ' B' ' 76' ' ' VAL . 95.9 mt-10 -68.86 -38.96 80.07 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.888 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -63.85 -45.56 88.95 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.445 HG13 ' HB1' ' A' ' 79' ' ' ALA . 3.5 p -60.11 -39.61 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.634 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.447 HG22 ' O ' ' B' ' 73' ' ' GLU . 30.5 m -74.74 -33.28 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.572 178.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.423 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.9 tt -60.01 -42.17 93.71 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.43 HG22 ' O ' ' B' ' 75' ' ' VAL . 23.2 m -73.02 -31.73 36.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.54 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.452 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -60.81 -37.78 83.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.732 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.82 92.09 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.618 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.505 HD12 ' H ' ' B' ' 81' ' ' LEU . 6.3 mp -65.89 -35.01 79.46 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.342 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.685 HG23 ' CG ' ' A' ' 8' ' ' MET . 70.5 m -52.19 -38.62 58.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.789 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.83 -35.76 66.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.573 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.84 94.75 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 120.366 -0.534 . . . . 0.0 111.041 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 48.0 ttp -60.14 -38.02 81.86 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 119.439 -0.904 . . . . 0.0 108.791 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -58.77 -42.46 88.99 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.728 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.25 -42.53 98.78 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.304 0.573 . . . . 0.0 109.463 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -60.98 -40.29 92.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.416 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -53.53 -39.08 64.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.812 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -53.71 -34.99 60.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.164 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.16 -33.0 66.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.284 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.02 136.79 42.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.443 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.667 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.49 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 29.5 t -107.49 142.4 37.43 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.952 0.405 . . . . 0.0 110.487 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.06 -37.46 71.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.761 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.0 tp -59.37 -42.69 92.18 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.376 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.805 ' OE2' HD12 ' B' ' 41' ' ' LEU . 76.9 mm-40 -66.38 -38.51 87.71 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.393 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.9 m -60.34 -43.02 96.83 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.172 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.478 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -68.06 -39.31 83.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.045 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.706 ' CG ' HG23 ' B' ' 82' ' ' THR . 47.1 ttm -60.14 -43.65 95.55 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -57.86 -31.11 66.37 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.262 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.472 HG21 ' HB2' ' B' ' 7' ' ' ALA . 39.0 m -56.0 -37.69 69.46 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.293 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.25 -42.44 99.18 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.186 -1.005 . . . . 0.0 110.818 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.572 ' CG2' ' CE1' ' A' ' 16' ' ' HIS . 74.7 mt -65.38 -43.68 94.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.952 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -60.41 -41.07 93.14 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.709 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.403 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 29.9 m -73.22 -38.02 53.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.404 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -60.59 -48.79 80.2 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.651 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.572 ' CE1' ' CG2' ' A' ' 12' ' ' ILE . 54.7 m170 -62.38 -46.05 90.39 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.196 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.59 -48.54 74.57 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.785 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.499 ' CB ' HD12 ' A' ' 36' ' ' LEU . 72.9 m80 -62.58 -47.38 84.06 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.214 -0.595 . . . . 0.0 111.67 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.9 t -61.26 -41.0 96.17 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.973 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.28 96.21 Favored Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.42 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.05 -41.17 87.24 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -125.4 149.33 48.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 111.19 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.76 -162.05 3.4 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -73.14 135.67 44.73 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.01 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -60.03 -39.0 84.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.08 0.466 . . . . 0.0 110.869 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -64.87 -32.01 73.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.368 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -114.82 141.47 47.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.311 0.577 . . . . 0.0 111.912 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -110.7 132.88 53.81 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.447 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.9 m -104.09 150.96 23.83 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.439 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 25.7 tttm -56.07 -35.73 67.29 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 118.644 -1.222 . . . . 0.0 109.371 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.54 -40.85 72.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.32 -37.52 85.56 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.446 HD21 ' CD1' ' A' ' 77' ' ' LEU . 28.0 tp -62.42 -44.22 96.95 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.052 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -59.91 -42.59 94.24 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.058 -1.057 . . . . 0.0 110.218 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.23 -40.49 94.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.339 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.499 HD12 ' CB ' ' A' ' 18' ' ' HIS . 8.4 tt -64.92 -43.49 92.64 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.201 -0.6 . . . . 0.0 111.024 -179.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.422 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -68.48 -43.5 76.79 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 120.491 -0.483 . . . . 0.0 112.161 -179.819 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.57 -43.66 93.18 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.043 -1.063 . . . . 0.0 111.952 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.1 m -71.73 -47.04 56.49 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.492 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.6 mm-40 -76.89 -33.82 57.78 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -177.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.819 HD12 ' OE2' ' B' ' 5' ' ' GLU . 12.2 tp -103.0 138.81 39.38 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.576 0.703 . . . . 0.0 112.751 -176.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.621 ' O ' ' N ' ' A' ' 44' ' ' PHE . 26.5 m -51.35 -27.0 8.58 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.568 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -43.51 -10.27 0.01 OUTLIER Glycine 0 CA--C 1.524 0.609 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.472 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 42' ' ' SER . 60.4 t80 -45.59 -37.57 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.8 -35.92 69.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.732 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.568 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 33.1 p30 -83.64 11.35 7.39 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.922 0.391 . . . . 0.0 110.686 -179.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.505 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -58.16 -25.01 60.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.529 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.669 ' O ' HG12 ' A' ' 51' ' ' VAL . 94.5 mm-40 -54.88 -152.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.992 0.425 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -56.43 -27.92 58.0 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.774 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.92 -35.03 63.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.912 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.706 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.6 p -53.7 -29.55 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.698 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.65 -34.95 60.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.71 -28.71 61.43 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.387 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.706 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.8 p -55.34 -34.67 34.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.142 0.496 . . . . 0.0 109.838 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -64.6 -43.16 94.7 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.939 -0.705 . . . . 0.0 112.089 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -69.37 -45.97 68.08 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.476 0.655 . . . . 0.0 112.072 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.87 -32.13 55.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.637 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.439 ' SD ' ' HD2' ' A' ' 30' ' ' LYS . 17.8 ttt -55.77 -38.39 69.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.441 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -59.16 -40.76 86.57 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.742 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.73 -39.55 88.03 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.203 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 67.1 mt -67.59 -37.31 82.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.852 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -85.92 107.44 17.72 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.243 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.84 -35.88 81.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.162 0.506 . . . . 0.0 110.004 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -59.09 -38.77 80.31 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.191 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.79 14.03 81.81 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 108.742 -1.743 . . . . 0.0 108.742 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.5 p30 -90.09 2.53 55.15 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.26 9.56 60.97 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -105.22 143.22 33.69 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.5 t -108.98 130.36 62.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-O 121.763 0.792 . . . . 0.0 111.488 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -110.63 160.85 16.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.754 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -53.28 -41.77 65.91 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.641 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.495 ' O ' HG12 ' A' ' 75' ' ' VAL . 63.4 tt0 -59.39 -40.81 87.75 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.05 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.49 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.7 mt-10 -67.46 -38.35 84.31 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.712 -0.795 . . . . 0.0 109.812 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.425 ' CE2' HG11 ' A' ' 78' ' ' VAL . 76.7 t80 -63.11 -44.3 96.04 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.249 -0.887 . . . . 0.0 113.322 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 72' ' ' GLN . 2.8 p -59.77 -38.88 78.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 119.764 -0.775 . . . . 0.0 110.655 -178.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 73' ' ' GLU . 30.7 m -75.66 -34.23 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 119.96 -0.696 . . . . 0.0 109.861 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.446 ' CD1' HD21 ' A' ' 33' ' ' LEU . 10.0 tt -60.2 -42.09 94.37 Favored 'General case' 0 CA--C 1.523 -0.086 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.179 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.425 HG11 ' CE2' ' A' ' 74' ' ' TYR . 23.1 m -73.25 -33.47 41.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 120.219 -0.593 . . . . 0.0 111.133 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.436 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -62.13 -38.89 90.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.225 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.18 -42.82 93.26 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.312 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.7 mt -64.57 -36.67 84.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.608 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.703 HG23 ' CG ' ' B' ' 8' ' ' MET . 59.0 m -53.22 -37.86 62.39 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.804 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.401 HG21 ' HG3' ' B' ' 72' ' ' GLN . 85.8 t -60.07 -35.27 60.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.215 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.12 -34.36 76.2 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.772 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.433 ' HE1' HD12 ' B' ' 12' ' ' ILE . 4.7 ttp -58.6 -38.17 77.41 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.378 -179.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -57.93 -42.73 85.45 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -62.42 -40.94 98.18 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 113.794 -1.548 . . . . 0.0 110.172 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.56 -41.14 93.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.401 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -53.11 -39.53 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.892 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.8 -34.85 63.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.701 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.25 -32.72 72.53 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.66 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -100.05 120.0 39.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.538 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.58 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.627 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.492 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 29.0 t -107.41 142.41 37.28 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.993 0.425 . . . . 0.0 110.52 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.07 -37.45 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.818 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 tp -59.39 -42.59 92.07 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.503 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.819 ' OE2' HD12 ' A' ' 41' ' ' LEU . 76.9 mm-40 -66.37 -38.56 87.84 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.35 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.4 m -60.14 -43.19 95.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.004 -0.678 . . . . 0.0 110.22 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.472 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -67.98 -39.4 83.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.999 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.703 ' CG ' HG23 ' A' ' 82' ' ' THR . 47.2 ttm -60.15 -43.67 95.58 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.381 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -57.83 -31.08 66.28 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.32 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.478 HG21 ' HB2' ' A' ' 7' ' ' ALA . 39.1 m -56.12 -37.65 69.71 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.237 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.2 -42.47 99.31 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 119.16 -1.016 . . . . 0.0 110.828 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.578 ' CG2' ' CE1' ' B' ' 16' ' ' HIS . 74.5 mt -65.33 -43.66 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.052 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.53 -40.99 93.48 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.595 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 30.2 m -73.24 -38.07 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 119.823 -0.751 . . . . 0.0 110.424 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -60.49 -48.86 79.93 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.703 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.578 ' CE1' ' CG2' ' B' ' 12' ' ' ILE . 54.6 m170 -62.27 -46.11 90.27 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.264 179.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.57 -48.43 75.02 Favored 'General case' 0 C--N 1.334 -0.097 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.869 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.495 ' CB ' HD12 ' B' ' 36' ' ' LEU . 72.9 m80 -62.73 -47.27 84.31 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.636 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.9 t -61.38 -40.96 96.27 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.989 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.18 -38.32 96.32 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.44 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.08 -41.14 87.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -125.37 149.24 48.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 111.233 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.86 -162.04 3.52 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.36 135.8 44.33 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.556 -0.457 . . . . 0.0 109.976 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -60.01 -39.04 84.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.038 0.447 . . . . 0.0 110.861 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -64.93 -31.97 73.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.332 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -114.76 141.44 47.85 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.317 0.58 . . . . 0.0 111.978 -178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -110.77 132.82 53.87 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.439 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.7 m -104.09 151.04 23.75 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.433 ' HD2' ' SD ' ' B' ' 58' ' ' MET . 25.7 tttm -56.11 -35.78 67.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 118.655 -1.218 . . . . 0.0 109.279 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.49 -40.91 72.29 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -66.28 -37.49 85.56 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.45 HD21 ' CD1' ' B' ' 77' ' ' LEU . 27.9 tp -62.45 -44.21 96.95 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.108 -178.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -59.85 -42.65 94.08 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 119.025 -1.07 . . . . 0.0 110.26 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.17 -40.51 94.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.338 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.495 HD12 ' CB ' ' B' ' 18' ' ' HIS . 8.4 tt -64.89 -43.55 92.55 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.201 -0.599 . . . . 0.0 111.072 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' B' ' 37' ' ' LEU . 0.5 OUTLIER -68.43 -43.46 77.07 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 120.502 -0.479 . . . . 0.0 112.207 -179.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -64.57 -43.67 93.13 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.052 -1.059 . . . . 0.0 111.995 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.1 m -71.77 -46.94 56.73 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.49 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 77.6 mm-40 -76.97 -33.77 57.61 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.805 HD12 ' OE2' ' A' ' 5' ' ' GLU . 12.2 tp -103.04 138.87 39.33 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.572 0.701 . . . . 0.0 112.734 -176.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.623 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.5 m -51.33 -27.01 8.52 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.555 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -43.46 -10.35 0.01 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.623 ' N ' ' O ' ' B' ' 42' ' ' SER . 60.3 t80 -45.58 -37.59 5.66 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.73 -35.99 69.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.783 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.555 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 33.2 p30 -83.63 11.49 7.16 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.926 0.393 . . . . 0.0 110.697 -179.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -58.17 -25.03 61.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.54 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.655 ' O ' HG12 ' B' ' 51' ' ' VAL . 94.5 mm-40 -54.89 -152.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.967 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -56.42 -27.99 58.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.696 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.91 -35.05 63.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.969 0.414 . . . . 0.0 109.886 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.701 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.6 p -53.81 -29.39 17.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.682 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.72 -34.94 60.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.74 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.72 -28.8 61.65 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.337 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.701 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.8 p -55.33 -34.6 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.88 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -64.55 -43.24 94.58 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.979 -0.688 . . . . 0.0 112.069 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -69.29 -45.98 68.3 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.531 0.681 . . . . 0.0 112.124 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.9 -32.15 55.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.628 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.433 ' SD ' ' HD2' ' B' ' 30' ' ' LYS . 17.9 ttt -55.73 -38.32 69.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.437 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -59.14 -40.85 86.8 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.748 -178.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.68 -39.66 88.22 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 67.2 mt -67.51 -37.36 82.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.855 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -85.98 107.51 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.227 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.01 -35.78 80.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.978 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -59.02 -38.78 80.09 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.227 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.71 14.14 81.6 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 108.739 -1.745 . . . . 0.0 108.739 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -90.1 2.47 55.23 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.29 9.53 61.01 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -105.12 143.16 33.68 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.0 130.32 62.14 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-O 121.693 0.759 . . . . 0.0 111.586 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -110.66 160.8 16.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.432 -1.258 . . . . 0.0 108.695 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -53.13 -41.87 65.49 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.22 -0.992 . . . . 0.0 109.612 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.501 ' O ' HG12 ' B' ' 75' ' ' VAL . 63.3 tt0 -59.41 -40.82 87.86 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.052 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.491 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.8 mt-10 -67.38 -38.45 84.73 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.708 -0.797 . . . . 0.0 109.807 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.421 ' CE2' HG11 ' B' ' 78' ' ' VAL . 77.0 t80 -63.13 -44.32 95.91 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.249 -0.887 . . . . 0.0 113.298 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.501 HG12 ' O ' ' B' ' 72' ' ' GLN . 2.7 p -59.73 -38.85 77.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.693 -178.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.491 HG22 ' O ' ' B' ' 73' ' ' GLU . 30.9 m -75.67 -34.2 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.918 178.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.45 ' CD1' HD21 ' B' ' 33' ' ' LEU . 10.0 tt -60.24 -42.08 94.51 Favored 'General case' 0 C--O 1.23 0.055 0 C-N-CA 120.219 -0.592 . . . . 0.0 111.116 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.421 HG11 ' CE2' ' B' ' 74' ' ' TYR . 23.2 m -73.25 -33.4 41.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.185 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.424 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -62.32 -38.77 90.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.196 -178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.16 -42.87 93.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.309 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.3 mt -64.54 -36.67 84.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.553 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.706 HG23 ' CG ' ' A' ' 8' ' ' MET . 59.6 m -53.16 -38.02 62.39 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.727 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 83.4 t -59.87 -35.38 60.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.279 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.42 76.23 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.847 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.495 ' HE1' HD12 ' A' ' 12' ' ' ILE . 4.7 ttp -58.58 -38.19 77.38 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 119.821 -0.751 . . . . 0.0 110.334 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -57.84 -42.88 85.32 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -62.41 -40.9 98.03 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.216 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.61 -41.12 94.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.387 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -53.12 -39.46 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.948 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -54.85 -34.78 63.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.738 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.38 -32.62 72.54 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.624 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.09 120.03 39.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.532 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.56 -179.949 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.517 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 46.6 t -107.51 140.0 41.17 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.76 0.314 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -61.87 -37.37 84.3 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -61.64 -41.43 97.5 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.988 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.27 -40.97 94.61 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.445 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.5 m -62.04 -43.19 99.38 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.777 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.75 85.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.309 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.603 ' CG ' HG23 ' B' ' 82' ' ' THR . 65.2 ttp -61.44 -43.34 99.04 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.326 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.37 -31.37 67.58 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.066 0.46 . . . . 0.0 110.134 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.3 m -56.39 -35.87 68.24 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.83 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.5 mt -60.3 -41.38 93.3 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 118.94 -1.104 . . . . 0.0 110.959 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.431 HG22 ' CD2' ' A' ' 16' ' ' HIS . 77.2 mt -63.98 -47.22 91.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.034 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -60.17 -43.03 96.15 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.425 ' C ' ' HD1' ' A' ' 18' ' ' HIS . 26.5 m -71.72 -35.9 57.13 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 C-N-CA 119.946 -0.702 . . . . 0.0 110.259 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -60.1 -49.83 76.08 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.729 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.431 ' CD2' HG22 ' A' ' 12' ' ' ILE . 94.5 m-70 -63.8 -47.09 82.26 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.3 -51.58 55.88 Favored 'General case' 0 CA--C 1.522 -0.119 0 C-N-CA 120.019 -0.672 . . . . 0.0 112.087 -178.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.439 ' CD2' ' CD1' ' A' ' 36' ' ' LEU . 75.5 m80 -62.23 -46.99 86.39 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.292 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.571 ' OG ' HD13 ' A' ' 28' ' ' LEU . 19.7 m -61.59 -38.86 89.1 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.122 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.52 -38.19 95.95 Favored Glycine 0 CA--C 1.524 0.615 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -59.6 -40.05 86.23 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.552 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -126.22 155.69 41.43 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -177.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.22 -136.92 48.03 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-N 114.495 -1.23 . . . . 0.0 112.857 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -82.85 119.8 24.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -59.35 -38.42 80.34 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.474 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -67.29 -33.04 74.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.426 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -121.27 150.89 40.71 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.639 0.733 . . . . 0.0 112.954 -178.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.571 HD13 ' OG ' ' A' ' 19' ' ' SER . 22.5 tp -101.48 131.6 47.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.7 178.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -103.9 151.37 23.22 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.882 0.372 . . . . 0.0 110.013 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.687 ' NZ ' ' SD ' ' A' ' 58' ' ' MET . 38.3 tttt -57.33 -37.84 73.16 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.094 -178.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -56.29 -41.57 76.13 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.552 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.4 mt-10 -66.57 -37.12 84.26 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.076 177.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.77 HD11 ' CD2' ' A' ' 77' ' ' LEU . 16.1 tp -64.98 -46.66 80.55 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.404 ' HB3' HE21 ' A' ' 38' ' ' GLN . 29.6 mtmt -60.16 -47.79 84.44 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 118.629 -1.228 . . . . 0.0 109.76 -178.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' OG1' ' A' ' 39' ' ' THR . 84.4 tt0 -62.82 -39.98 95.97 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.005 -1.452 . . . . 0.0 111.686 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' CD1' ' CD2' ' A' ' 18' ' ' HIS . 39.7 tp -65.61 -47.93 74.0 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.453 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.566 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -69.89 -43.98 70.65 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 119.558 -0.857 . . . . 0.0 111.841 -179.687 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.404 HE21 ' HB3' ' A' ' 34' ' ' LYS . 57.5 mt-30 -65.46 -41.67 93.15 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.85 -0.74 . . . . 0.0 111.414 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 48.5 m -69.47 -44.38 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.507 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 76.0 mm-40 -76.26 -33.84 59.16 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.0 mt -100.04 150.8 22.07 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.608 ' O ' ' N ' ' A' ' 44' ' ' PHE . 26.3 m -53.61 -28.0 30.0 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 113.837 -1.528 . . . . 0.0 108.078 178.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -44.91 -8.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.606 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.508 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.608 ' N ' ' O ' ' A' ' 42' ' ' SER . 66.7 t80 -48.47 -37.77 18.21 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -55.4 -35.8 65.73 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 48' ' ' GLN . 52.5 t0 -54.37 -31.29 54.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.562 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -32.87 -23.08 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.901 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.658 ' N ' ' O ' ' A' ' 46' ' ' ASP . 94.1 mt-30 -51.5 -174.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -56.37 -28.63 59.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.381 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.27 -34.19 63.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.18 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.641 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.1 p -52.18 -27.17 9.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.944 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -53.0 -35.38 59.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.682 0.277 . . . . 0.0 111.017 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.26 -28.23 62.78 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.053 0.454 . . . . 0.0 110.175 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.641 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.6 p -53.12 -36.76 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.567 ' HA ' ' HZ1' ' A' ' 30' ' ' LYS . 88.8 m-20 -65.27 -42.57 93.09 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.034 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -63.1 -41.17 99.33 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.5 m -73.76 -29.32 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.687 ' SD ' ' NZ ' ' A' ' 30' ' ' LYS . 16.6 ttt -54.62 -38.26 66.6 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.014 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -59.01 -39.98 83.51 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.532 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.36 -39.78 89.36 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 119.996 -0.682 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.516 ' CD1' HD12 ' A' ' 77' ' ' LEU . 73.7 mt -67.69 -37.89 82.93 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.737 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.513 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 57.0 t0 -87.37 103.74 15.77 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.17 -179.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.6 -34.74 76.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.289 0.566 . . . . 0.0 110.358 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -57.9 -38.98 76.8 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.342 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.12 5.7 81.37 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 107.785 -2.126 . . . . 0.0 107.785 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.8 p30 -63.4 -33.33 75.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.043 -1.079 . . . . 0.0 113.017 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.653 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.14 -1.99 63.24 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -109.81 153.72 24.0 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.404 HG21 HD22 ' A' ' 33' ' ' LEU . 43.0 t -106.98 132.91 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 0.0 111.432 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 56.8 t0 -102.86 155.29 18.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.054 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.481 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 80.1 t80 -51.82 -41.56 61.86 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.129 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.471 ' O ' HG12 ' A' ' 75' ' ' VAL . 63.6 tt0 -58.69 -40.5 83.81 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.869 -0.732 . . . . 0.0 110.206 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.469 ' O ' HG22 ' A' ' 76' ' ' VAL . 95.0 mt-10 -67.4 -38.48 84.72 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.67 0.747 . . . . 0.0 109.852 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -62.94 -44.78 95.14 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.148 -0.933 . . . . 0.0 113.208 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.532 HG13 ' HB1' ' B' ' 79' ' ' ALA . 2.6 p -60.32 -39.73 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.81 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 73' ' ' GLU . 31.1 m -74.73 -33.35 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.077 -0.649 . . . . 0.0 109.482 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.77 ' CD2' HD11 ' A' ' 33' ' ' LEU . 15.2 tp -57.64 -45.54 85.32 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.924 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.44 -32.71 43.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.743 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.533 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -61.71 -37.88 85.81 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.368 -179.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.75 -44.75 84.95 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.178 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.447 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.2 mp -65.62 -35.77 81.78 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.656 179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.61 HG23 ' CG ' ' B' ' 8' ' ' MET . 65.6 m -52.8 -38.24 60.95 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.391 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.94 -34.87 61.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.633 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.47 84.48 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.635 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.3 ttt -59.84 -39.14 84.12 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.453 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -57.79 -42.58 84.44 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.389 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.64 -41.61 97.74 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.504 178.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.28 -41.34 93.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.649 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -53.79 -39.53 65.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.925 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -54.47 -34.76 62.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.237 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -57.48 -33.22 67.77 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.504 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -103.25 136.86 42.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.499 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.568 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.743 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.507 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 46.7 t -107.56 139.95 41.31 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.711 0.291 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -61.74 -37.54 84.6 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 43.7 tp -61.53 -41.51 97.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.012 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.21 -41.06 94.85 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.385 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.9 m -61.97 -43.23 99.27 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.401 -0.519 . . . . 0.0 110.703 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.74 85.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.213 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.61 ' CG ' HG23 ' A' ' 82' ' ' THR . 65.2 ttp -61.4 -43.33 99.05 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.41 -31.3 67.58 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.022 0.439 . . . . 0.0 110.127 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -56.5 -35.89 68.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.75 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.4 mt -60.31 -41.33 93.24 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 118.897 -1.121 . . . . 0.0 111.005 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.422 HG22 ' CD2' ' B' ' 16' ' ' HIS . 77.4 mt -63.96 -47.24 91.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.027 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -60.16 -42.98 96.07 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.439 ' C ' ' HD1' ' B' ' 18' ' ' HIS . 26.5 m -71.79 -35.88 56.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.244 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.07 -49.82 76.13 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 119.399 -0.921 . . . . 0.0 109.752 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.422 ' CD2' HG22 ' B' ' 12' ' ' ILE . 94.6 m-70 -63.68 -47.23 82.03 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.3 -51.46 57.17 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 119.963 -0.695 . . . . 0.0 112.152 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.448 ' CD2' ' CD1' ' B' ' 36' ' ' LEU . 75.5 m80 -62.27 -47.03 86.16 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.26 -0.576 . . . . 0.0 111.259 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.561 ' OG ' HD13 ' B' ' 28' ' ' LEU . 19.7 m -61.66 -38.8 89.09 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.117 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.54 -38.25 96.05 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-N 115.054 -0.976 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -59.61 -39.98 85.99 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.547 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -126.27 155.71 41.47 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -177.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.17 -136.93 47.91 Favored Glycine 0 C--N 1.337 0.592 0 CA-C-N 114.441 -1.254 . . . . 0.0 112.794 177.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -82.81 119.88 24.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -59.33 -38.39 80.23 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.572 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -67.29 -33.06 74.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.457 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -121.18 150.99 40.47 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -178.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.561 HD13 ' OG ' ' B' ' 19' ' ' SER . 22.3 tp -101.58 131.57 47.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.663 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -103.92 151.38 23.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.064 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.681 ' NZ ' ' SD ' ' B' ' 58' ' ' MET . 38.2 tttt -57.39 -37.79 73.23 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.074 -178.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -56.27 -41.57 76.04 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.547 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.3 mt-10 -66.55 -37.09 84.24 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.098 177.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.76 HD11 ' CD2' ' B' ' 77' ' ' LEU . 16.1 tp -65.01 -46.77 80.01 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -60.11 -47.74 84.62 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 118.637 -1.225 . . . . 0.0 109.789 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.9 -39.85 95.77 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.046 -1.434 . . . . 0.0 111.719 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.448 ' CD1' ' CD2' ' B' ' 18' ' ' HIS . 39.7 tp -65.81 -47.79 73.9 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.092 -0.643 . . . . 0.0 112.422 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.5 OUTLIER -69.91 -43.91 70.77 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 119.529 -0.869 . . . . 0.0 111.903 -179.715 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -65.55 -41.63 92.78 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.756 -0.777 . . . . 0.0 111.395 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.7 m -69.48 -44.36 71.3 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.517 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 75.9 mm-40 -76.24 -33.9 59.19 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 72.5 mt -99.97 150.86 21.98 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.611 ' O ' ' N ' ' B' ' 44' ' ' PHE . 27.1 m -53.63 -28.04 30.56 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 113.889 -1.505 . . . . 0.0 108.037 178.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' B' ' 46' ' ' ASP . . . -44.87 -8.87 0.01 OUTLIER Glycine 0 CA--C 1.524 0.606 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.511 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.611 ' N ' ' O ' ' B' ' 42' ' ' SER . 66.8 t80 -48.57 -37.65 18.47 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 28.4 tp -55.48 -35.82 65.95 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' B' ' 48' ' ' GLN . 52.5 t0 -54.39 -31.24 54.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.54 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -32.88 -23.05 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.912 -178.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.651 ' N ' ' O ' ' B' ' 46' ' ' ASP . 94.0 mt-30 -51.48 -174.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -56.28 -28.67 59.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.866 0.365 . . . . 0.0 110.433 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.33 -34.17 63.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.169 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.64 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.0 p -52.08 -27.27 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.981 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -53.01 -35.34 59.29 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.048 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.17 -28.34 62.7 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.153 0.501 . . . . 0.0 110.215 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.64 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.5 p -53.02 -36.81 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.545 ' HA ' ' HZ1' ' B' ' 30' ' ' LYS . 88.7 m-20 -65.19 -42.69 93.36 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.981 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -63.01 -41.19 99.5 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 19.6 m -73.84 -29.3 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.681 ' SD ' ' NZ ' ' B' ' 30' ' ' LYS . 16.5 ttt -54.59 -38.24 66.5 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.068 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -59.0 -40.03 83.64 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.538 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.25 -39.92 89.84 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.515 ' CD1' HD12 ' B' ' 77' ' ' LEU . 73.3 mt -67.57 -37.95 83.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.733 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.499 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 57.2 t0 -87.42 103.81 15.85 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 119.833 -0.747 . . . . 0.0 111.181 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.63 -34.71 76.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.257 0.551 . . . . 0.0 110.324 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -57.92 -38.9 76.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.374 -178.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.05 5.63 80.91 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 107.811 -2.116 . . . . 0.0 107.811 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.7 p30 -63.35 -33.37 75.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.004 -1.098 . . . . 0.0 113.037 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.645 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.1 -1.81 63.18 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.413 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 96.3 mt-10 -109.84 153.73 24.02 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.424 HG21 HD22 ' B' ' 33' ' ' LEU . 43.0 t -106.96 132.95 53.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.561 0.696 . . . . 0.0 111.474 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 56.8 t0 -102.86 155.29 18.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.008 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.472 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 80.4 t80 -51.69 -41.71 61.63 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.083 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.484 ' O ' HG12 ' B' ' 75' ' ' VAL . 63.6 tt0 -58.72 -40.41 83.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.209 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.469 ' O ' HG22 ' B' ' 76' ' ' VAL . 95.0 mt-10 -67.45 -38.45 84.49 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.657 0.741 . . . . 0.0 109.896 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -62.98 -44.7 95.32 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.05 -0.977 . . . . 0.0 113.197 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.533 HG13 ' HB1' ' A' ' 79' ' ' ALA . 2.5 p -60.41 -39.74 81.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.767 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 73' ' ' GLU . 31.1 m -74.74 -33.43 31.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 120.186 -0.605 . . . . 0.0 109.381 178.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.76 ' CD2' HD11 ' B' ' 33' ' ' LEU . 15.1 tp -57.52 -45.61 84.79 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.973 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 m -72.43 -32.6 42.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.832 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.532 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -61.64 -37.97 85.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.329 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.82 -44.75 84.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.122 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.454 HD12 ' H ' ' B' ' 81' ' ' LEU . 6.2 mp -65.64 -35.81 81.87 Favored 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 120.499 -0.481 . . . . 0.0 110.549 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.603 HG23 ' CG ' ' A' ' 8' ' ' MET . 64.3 m -52.74 -38.23 60.57 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.442 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 87.0 t -60.94 -34.92 61.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.67 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.5 -38.46 84.41 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.675 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 25.3 ttt -59.78 -39.11 83.79 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.536 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -57.85 -42.53 84.62 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.072 -0.651 . . . . 0.0 109.304 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -61.75 -41.53 97.8 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.455 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.31 -41.29 93.16 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.684 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.85 -39.5 65.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.961 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -54.5 -34.72 62.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.208 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -57.48 -33.29 67.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.501 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -103.22 136.8 42.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.48 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.518 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 p -69.58 162.23 28.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.697 0.284 . . . . 0.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.03 -36.9 80.75 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.446 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp -61.17 -42.58 98.81 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.946 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.41 -42.08 88.33 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.049 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.0 m -61.94 -43.33 99.07 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.096 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.26 -40.74 81.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.552 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.551 ' CG ' HG23 ' B' ' 82' ' ' THR . 63.1 ttp -61.99 -42.02 98.67 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.64 -31.29 68.0 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 120.978 0.418 . . . . 0.0 110.217 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.0 m -56.16 -35.54 67.3 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.36 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.1 mt -59.21 -42.67 91.53 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.242 -0.983 . . . . 0.0 110.826 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.417 HD12 ' CE ' ' B' ' 85' ' ' MET . 73.8 mt -65.66 -41.51 90.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.961 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -60.13 -41.23 92.22 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.433 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -74.72 -39.06 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 120.194 -0.603 . . . . 0.0 111.101 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.541 ' CE1' HD22 ' A' ' 28' ' ' LEU . 70.1 t80 -63.8 -50.83 67.42 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.568 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -64.31 -47.32 79.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.172 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.48 85.92 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 120.211 -0.595 . . . . 0.0 111.5 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.573 ' CG ' HD13 ' A' ' 36' ' ' LEU . 86.5 t60 -63.81 -48.19 77.82 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.497 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.8 t -61.07 -40.35 93.33 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.35 -39.2 97.52 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.669 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.73 -41.28 90.55 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -126.65 153.41 45.4 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.839 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.54 -162.64 33.26 Favored Glycine 0 C--N 1.332 0.321 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -71.66 136.31 47.25 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -61.1 -38.86 87.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.078 0.466 . . . . 0.0 110.841 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -67.57 -32.61 73.48 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -117.71 148.64 41.81 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.83 HD12 ' OE1' ' A' ' 32' ' ' GLU . 14.8 tp -104.79 130.82 52.81 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.706 -1.134 . . . . 0.0 108.868 178.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.9 t -103.09 149.72 24.32 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.315 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -55.62 -36.76 67.33 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 119.13 -1.028 . . . . 0.0 110.145 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -55.58 -40.72 72.36 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.83 ' OE1' HD12 ' A' ' 28' ' ' LEU . 97.3 mt-10 -66.55 -38.84 87.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.708 HD11 HD22 ' A' ' 77' ' ' LEU . 8.8 tt -64.6 -46.64 81.8 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -59.94 -47.09 87.2 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 119.299 -0.96 . . . . 0.0 111.524 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.6 -42.28 87.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.177 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.573 HD13 ' CG ' ' A' ' 18' ' ' HIS . 37.5 tp -65.46 -46.12 81.08 Favored 'General case' 0 CA--C 1.523 -0.094 0 C-N-CA 119.97 -0.692 . . . . 0.0 112.233 -178.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.554 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -70.01 -40.95 74.92 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.624 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' NE2' ' CB ' ' A' ' 47' ' ' ALA . 50.0 tt0 -64.12 -45.88 86.63 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 119.653 -0.819 . . . . 0.0 111.476 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.0 m -71.23 -43.63 66.94 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -74.57 -33.17 62.62 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.032 0.752 . . . . 0.0 113.032 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.546 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.4 tp -100.39 142.7 31.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.194 0.521 . . . . 0.0 111.648 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.605 ' O ' ' N ' ' A' ' 44' ' ' PHE . 87.0 p -53.29 -23.91 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.567 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -45.43 -10.53 0.02 OUTLIER Glycine 0 CA--C 1.523 0.583 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 178.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.605 ' N ' ' O ' ' A' ' 42' ' ' SER . 55.3 t80 -46.48 -39.1 10.15 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.548 ' H ' HD12 ' A' ' 45' ' ' LEU . 6.8 mp -60.8 -31.52 70.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.281 178.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.567 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 33.1 p30 -81.49 12.25 3.89 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.045 0.45 . . . . 0.0 110.426 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -57.51 -23.04 47.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.509 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.642 ' O ' HG12 ' A' ' 51' ' ' VAL . 93.8 mt-30 -55.37 -151.9 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -56.06 -28.13 56.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.013 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.97 -34.84 63.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.038 0.446 . . . . 0.0 110.063 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 48' ' ' GLN . 5.9 p -52.96 -26.43 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.108 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -53.72 -35.29 61.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.864 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.01 -28.34 62.38 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.013 0.435 . . . . 0.0 110.156 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.657 ' O ' HG12 ' A' ' 57' ' ' VAL . 4.4 p -52.89 -37.29 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -68.04 -39.42 83.08 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -65.89 -42.04 90.76 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.492 0.663 . . . . 0.0 111.865 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.657 HG12 ' O ' ' A' ' 54' ' ' VAL . 9.9 p -61.99 -32.25 53.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.905 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.5 mmm -56.79 -36.13 69.51 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -58.21 -43.34 87.63 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.907 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.2 -38.12 84.82 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.36 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.624 ' CD1' HD13 ' A' ' 77' ' ' LEU . 81.5 mt -66.26 -37.03 84.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.049 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.474 ' OD1' ' OE1' ' A' ' 73' ' ' GLU . 98.5 m-20 -103.74 70.21 1.01 Allowed 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.96 -29.34 70.18 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -53.86 -36.73 62.93 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 114.072 -1.422 . . . . 0.0 109.916 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.03 1.03 73.39 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 108.417 -1.873 . . . . 0.0 108.417 -178.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.69 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.1 p30 -62.86 -35.62 80.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.413 -0.894 . . . . 0.0 112.769 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.69 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 84.63 5.79 86.3 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.4 ' H ' ' CG ' ' A' ' 66' ' ' ASP . 95.8 mt-10 -112.57 156.42 22.69 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.089 -0.555 . . . . 0.0 109.904 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.0 t -107.68 132.95 53.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.503 0.668 . . . . 0.0 111.606 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -102.65 158.57 16.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.292 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -52.79 -41.63 64.29 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.122 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.438 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.5 tt0 -57.92 -40.84 81.39 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.232 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.474 ' OE1' ' OD1' ' A' ' 62' ' ' ASP . 94.3 mt-10 -67.46 -37.78 83.45 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.443 0.64 . . . . 0.0 110.313 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -63.53 -46.0 88.03 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 72' ' ' GLN . 2.8 p -60.36 -39.58 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.138 0 C-N-CA 119.796 -0.762 . . . . 0.0 110.634 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.7 m -74.63 -32.97 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.485 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.708 HD22 HD11 ' A' ' 33' ' ' LEU . 12.9 tp -56.99 -45.36 83.01 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.248 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.408 ' H ' HG22 ' A' ' 78' ' ' VAL . 27.8 m -72.54 -35.14 50.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.203 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.432 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -62.51 -38.98 92.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.276 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.69 -43.94 87.69 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.676 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.58 -36.31 83.83 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.706 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.546 HG23 ' CG ' ' B' ' 8' ' ' MET . 57.0 m -52.97 -37.71 61.43 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.737 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.02 -35.59 62.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.432 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -39.75 94.31 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.393 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.423 ' CE ' HD12 ' B' ' 12' ' ' ILE . 47.3 ttp -57.98 -38.33 75.86 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.06 -40.13 84.22 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -59.71 -43.71 94.01 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.443 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -65.59 -34.95 79.43 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.119 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -54.03 -39.2 65.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.868 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -54.12 -34.42 60.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.203 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.03 -33.66 67.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.487 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -104.75 136.98 43.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.523 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.531 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.638 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -69.73 162.24 28.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.434 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.03 -36.94 80.86 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.393 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.17 -42.56 98.79 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.004 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.43 -41.95 88.43 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.081 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.5 m -62.09 -43.3 99.14 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.199 -0.6 . . . . 0.0 111.01 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.75 81.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.578 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.546 ' CG ' HG23 ' A' ' 82' ' ' THR . 63.1 ttp -61.92 -42.04 98.64 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -178.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.59 -31.35 67.96 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 120.98 0.419 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 37.6 m -56.09 -35.47 67.05 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.412 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.3 mt -59.36 -42.62 92.0 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.233 -0.987 . . . . 0.0 110.766 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.423 HD12 ' CE ' ' A' ' 85' ' ' MET . 73.8 mt -65.73 -41.42 90.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.962 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -60.1 -41.27 92.19 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.453 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -74.85 -39.03 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.999 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.545 ' CE1' HD22 ' B' ' 28' ' ' LEU . 69.9 t80 -63.65 -50.97 67.2 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.538 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -64.33 -47.27 80.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.106 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.36 86.01 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.551 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.564 ' CG ' HD13 ' B' ' 36' ' ' LEU . 86.5 t60 -63.82 -48.23 77.64 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.447 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.6 t -61.03 -40.38 93.38 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.901 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.36 -39.13 97.43 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.714 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.8 -41.22 90.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -126.71 153.49 45.39 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.852 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.43 -162.64 32.86 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.69 136.38 47.23 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -61.06 -38.86 87.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.178 0.514 . . . . 0.0 110.975 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -67.46 -32.68 73.7 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -117.75 148.53 41.95 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -177.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.838 HD12 ' OE1' ' B' ' 32' ' ' GLU . 14.8 tp -104.71 130.83 52.7 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.93 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.0 t -103.14 149.74 24.33 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.794 0.33 . . . . 0.0 110.34 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -55.56 -36.8 67.21 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 119.04 -1.064 . . . . 0.0 110.192 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -55.45 -40.72 71.93 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 119.105 -1.038 . . . . 0.0 108.284 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.838 ' OE1' HD12 ' B' ' 28' ' ' LEU . 97.3 mt-10 -66.53 -38.91 88.2 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 177.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.686 HD11 HD22 ' B' ' 77' ' ' LEU . 8.8 tt -64.53 -46.61 82.14 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -177.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -59.98 -47.01 87.56 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 119.266 -0.974 . . . . 0.0 111.603 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.7 -42.21 86.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.174 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.564 HD13 ' CG ' ' B' ' 18' ' ' HIS . 37.3 tp -65.37 -46.21 81.07 Favored 'General case' 0 CA--C 1.522 -0.121 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.268 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -70.01 -40.95 74.95 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.059 -0.657 . . . . 0.0 111.664 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.504 ' NE2' ' CB ' ' B' ' 47' ' ' ALA . 50.1 tt0 -64.1 -45.86 86.75 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.485 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.8 m -71.18 -43.67 67.0 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -74.55 -33.17 62.65 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.539 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.4 tp -100.4 142.8 31.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.302 0.572 . . . . 0.0 111.581 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.594 ' O ' ' N ' ' B' ' 44' ' ' PHE . 86.9 p -53.33 -23.97 10.68 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.582 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -45.36 -10.61 0.02 OUTLIER Glycine 0 CA--C 1.523 0.559 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.594 ' N ' ' O ' ' B' ' 42' ' ' SER . 55.3 t80 -46.52 -39.04 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.54 ' H ' HD12 ' B' ' 45' ' ' LEU . 6.8 mp -60.84 -31.45 70.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.309 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.582 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 33.2 p30 -81.51 12.19 3.96 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.009 0.433 . . . . 0.0 110.393 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.504 ' CB ' ' NE2' ' B' ' 38' ' ' GLN . . . -57.51 -22.96 47.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.504 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.644 ' O ' HG12 ' B' ' 51' ' ' VAL . 93.8 mt-30 -55.38 -151.81 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.634 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -56.16 -28.17 57.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.967 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.01 -34.69 63.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.973 0.416 . . . . 0.0 110.103 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.644 HG12 ' O ' ' B' ' 48' ' ' GLN . 5.9 p -53.07 -26.35 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.107 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -53.67 -35.34 60.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.601 0.239 . . . . 0.0 110.807 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.14 -28.22 62.54 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 120.936 0.398 . . . . 0.0 110.13 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.658 ' O ' HG12 ' B' ' 57' ' ' VAL . 4.4 p -52.87 -37.37 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.402 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 87.6 m-20 -67.96 -39.47 83.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -65.97 -42.03 90.4 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.434 0.635 . . . . 0.0 111.82 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.658 HG12 ' O ' ' B' ' 54' ' ' VAL . 9.9 p -61.93 -32.21 53.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.924 -178.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 95.4 mmm -56.94 -36.02 69.76 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -58.22 -43.3 87.65 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.902 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.25 -38.14 84.65 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.489 -0.485 . . . . 0.0 111.361 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.617 ' CD1' HD13 ' B' ' 77' ' ' LEU . 81.5 mt -66.29 -36.94 84.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.058 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.469 ' OD1' ' OE1' ' B' ' 73' ' ' GLU . 98.5 m-20 -103.76 70.26 1.01 Allowed 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.1 -29.3 70.22 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 176.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -53.79 -36.81 62.84 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 114.041 -1.436 . . . . 0.0 109.955 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.09 1.09 73.14 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.687 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 52.2 p30 -62.93 -35.58 80.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.417 -0.892 . . . . 0.0 112.774 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.687 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 84.68 5.67 86.35 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 -178.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -112.57 156.38 22.76 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.07 -0.565 . . . . 0.0 109.927 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.0 t -107.72 133.02 53.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.548 0.69 . . . . 0.0 111.541 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -102.69 158.63 16.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.682 -1.145 . . . . 0.0 109.328 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -52.77 -41.67 64.28 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.074 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.426 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.5 tt0 -57.92 -40.84 81.39 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.277 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.469 ' OE1' ' OD1' ' B' ' 62' ' ' ASP . 94.3 mt-10 -67.41 -37.79 83.61 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.486 0.66 . . . . 0.0 110.375 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -63.47 -45.94 88.47 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.432 HG13 ' HB1' ' A' ' 79' ' ' ALA . 2.7 p -60.43 -39.62 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 119.814 -0.755 . . . . 0.0 110.621 -178.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.435 HG22 ' O ' ' B' ' 73' ' ' GLU . 32.7 m -74.61 -32.94 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.543 178.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.686 HD22 HD11 ' B' ' 33' ' ' LEU . 13.0 tp -56.96 -45.44 82.84 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.279 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.45 -35.11 50.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.268 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.418 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -62.55 -39.02 92.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.307 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.61 -44.04 87.76 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.658 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.9 mt -64.42 -36.4 84.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.733 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.551 HG23 ' CG ' ' A' ' 8' ' ' MET . 57.1 m -52.92 -37.81 61.19 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.765 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.02 -35.59 62.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.411 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.85 94.36 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.369 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.417 ' CE ' HD12 ' A' ' 12' ' ' ILE . 47.3 ttp -58.01 -38.26 75.82 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -59.11 -40.11 84.33 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -59.78 -43.67 94.26 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.457 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -65.59 -34.95 79.43 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.136 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -54.02 -39.24 65.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.853 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -54.04 -34.46 60.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.23 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.03 -33.55 67.31 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.523 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -104.85 136.95 43.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.453 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 17.4 p . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.602 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.378 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 m -57.2 -37.03 71.57 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.369 -0.533 . . . . 0.0 110.202 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.54 -42.62 99.1 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.264 -0.575 . . . . 0.0 110.558 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.46 ' CD2' ' OE1' ' B' ' 40' ' ' GLU . 38.7 tp -64.07 -39.85 94.98 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.99 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.509 ' OE2' ' O ' ' B' ' 40' ' ' GLU . 97.6 mt-10 -63.75 -39.37 94.12 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.036 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.2 m -64.76 -42.59 95.02 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.603 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.38 87.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.61 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.527 ' CG ' HG23 ' B' ' 82' ' ' THR . 65.3 ttp -62.04 -41.11 97.77 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 120.547 -0.461 . . . . 0.0 112.054 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.77 -29.78 67.04 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.971 0.415 . . . . 0.0 109.998 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.3 m -54.59 -35.86 63.8 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.378 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.409 ' CD2' HD11 ' B' ' 4' ' ' LEU . 58.2 mt -59.08 -40.66 85.91 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 118.816 -1.154 . . . . 0.0 110.198 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.54 ' CG2' ' CE1' ' A' ' 16' ' ' HIS . 77.6 mt -63.87 -47.32 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.51 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.46 -41.68 97.6 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.542 -0.463 . . . . 0.0 112.219 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.439 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 19.8 m -71.93 -38.23 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.005 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -60.32 -47.49 85.79 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.836 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.54 ' CE1' ' CG2' ' A' ' 12' ' ' ILE . 57.5 m170 -61.76 -46.86 87.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.549 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.29 -47.67 75.82 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.159 -0.616 . . . . 0.0 112.022 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.439 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 89.9 m-70 -62.57 -47.52 83.49 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.696 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.9 p -65.19 -35.65 81.75 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.263 -0.575 . . . . 0.0 111.202 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.02 -38.41 95.99 Favored Glycine 0 CA--C 1.524 0.631 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.901 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.48 -41.04 88.88 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -124.1 152.59 42.56 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.963 0.411 . . . . 0.0 111.423 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.29 -163.37 0.14 Allowed Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.6 136.95 47.62 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.378 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' HZ1' ' HB3' ' A' ' 16' ' ' HIS . 41.6 tttp -59.65 -37.84 79.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.475 179.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -65.12 -27.46 68.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.365 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -112.9 143.35 44.33 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.737 0.779 . . . . 0.0 112.257 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -103.95 124.4 48.92 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 114.535 -1.211 . . . . 0.0 107.907 179.232 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.703 ' N ' HD13 ' A' ' 28' ' ' LEU . 86.4 p -104.64 154.57 19.79 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.903 0.383 . . . . 0.0 110.575 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -57.41 -37.6 73.0 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.51 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -55.92 -41.29 74.34 Favored 'General case' 0 CA--C 1.511 -0.523 0 C-N-CA 118.685 -1.206 . . . . 0.0 108.523 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.52 -38.44 87.21 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 120.126 -0.629 . . . . 0.0 109.716 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.491 ' CD2' ' SD ' ' A' ' 58' ' ' MET . 23.5 tp -65.44 -49.17 70.16 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -60.75 -46.81 89.02 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.279 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.88 -38.47 86.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.638 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.52 HD21 ' OE1' ' A' ' 40' ' ' GLU . 9.9 tt -64.78 -44.23 90.69 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.382 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.454 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -69.02 -43.4 74.85 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.954 179.12 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -63.32 -45.44 91.28 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.673 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.9 m -70.34 -42.38 71.96 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' OE1' HD21 ' A' ' 36' ' ' LEU . 98.3 mt-10 -74.74 -33.64 62.38 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 41' ' ' LEU . 62.5 mt -97.52 147.11 24.6 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -177.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 44' ' ' PHE . 25.0 m -54.91 -29.56 56.37 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 113.52 -1.673 . . . . 0.0 109.131 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 47' ' ' ALA . . . -45.15 -11.29 0.02 OUTLIER Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.588 ' N ' ' O ' ' A' ' 42' ' ' SER . 53.9 t80 -50.09 -42.81 50.9 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.185 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.2 tp -61.11 -40.6 94.36 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -102.17 8.4 40.63 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' A' ' 43' ' ' GLY . . . -60.66 -30.79 70.11 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.69 ' O ' HG12 ' A' ' 51' ' ' VAL . 92.9 mt-30 -31.21 -101.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -177.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 55.6 pttt -58.36 -34.74 71.0 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.303 0.573 . . . . 0.0 110.648 -178.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.07 -32.49 54.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.968 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.728 ' O ' HG12 ' A' ' 54' ' ' VAL . 5.4 p -52.49 -34.62 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.886 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 52.9 p30 -59.54 -33.85 71.91 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.074 -0.651 . . . . 0.0 110.836 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.662 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -58.03 -27.47 63.6 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.668 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.728 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.3 p -54.18 -36.85 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.551 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -65.53 -42.73 91.66 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.793 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.47 -40.4 97.01 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.463 ' O ' HD13 ' A' ' 61' ' ' LEU . 11.8 m -72.4 -32.82 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -177.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.491 ' SD ' ' CD2' ' A' ' 33' ' ' LEU . 92.3 mmm -57.54 -38.29 74.48 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.101 -0.64 . . . . 0.0 112.335 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.33 -46.05 91.87 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.001 -0.68 . . . . 0.0 112.044 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -70.08 -42.26 72.99 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 57' ' ' VAL . 7.0 mp -69.1 -36.83 78.0 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.438 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 53.2 t0 -85.36 109.49 18.44 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.944 -178.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.71 -37.6 86.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.619 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 66' ' ' ASP . 38.3 p-10 -91.07 7.55 39.9 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' ASN . . . 36.84 26.64 0.01 OUTLIER Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.639 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 55.7 p30 -61.4 -32.2 72.13 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.639 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 98.56 -5.02 60.13 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 96.5 mt-10 -112.69 151.56 30.06 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.482 HG21 HD22 ' A' ' 33' ' ' LEU . 41.5 t -110.19 133.5 55.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.475 0.655 . . . . 0.0 110.8 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 56.9 t0 -98.76 152.93 19.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.977 -1.011 . . . . 0.0 108.801 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.447 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 76.3 t80 -50.98 -40.78 58.72 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.271 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.443 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.5 tt0 -58.46 -41.03 84.28 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.941 -0.704 . . . . 0.0 110.14 178.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.425 ' O ' HG22 ' A' ' 76' ' ' VAL . 96.6 mt-10 -68.27 -39.36 82.19 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.484 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.37 -45.33 91.66 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.476 HG13 ' HB1' ' B' ' 79' ' ' ALA . 3.8 p -60.04 -39.05 79.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.784 -178.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.7 m -76.61 -32.89 21.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.797 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.402 ' C ' HD23 ' A' ' 77' ' ' LEU . 9.6 tt -61.32 -41.32 96.82 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.366 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.8 m -72.28 -32.31 42.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.481 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -61.75 -36.8 82.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.602 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.8 85.46 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.968 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.3 mp -66.53 -35.43 80.22 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.715 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.528 HG23 ' CG ' ' B' ' 8' ' ' MET . 55.0 m -53.04 -36.17 60.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.304 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.401 ' C ' HD22 ' A' ' 86' ' ' ASN . 77.3 t -57.46 -36.89 54.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.085 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.25 73.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.075 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -56.04 -38.97 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.004 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.43 ' ND2' ' H ' ' A' ' 86' ' ' ASN . 15.5 m-80 -60.38 -42.71 96.42 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -63.45 -41.73 98.65 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.756 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -66.09 -35.47 80.61 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.596 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -53.51 -38.85 64.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.957 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.07 -35.11 61.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.439 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.51 -32.69 72.74 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.479 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -100.33 120.22 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.519 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.7 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.587 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.314 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m -57.25 -36.97 71.63 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.211 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.63 -42.6 99.12 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.472 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.47 ' CD2' ' OE1' ' A' ' 40' ' ' GLU . 38.7 tp -64.12 -39.75 94.71 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 120.334 -0.547 . . . . 0.0 109.978 178.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.496 ' OE2' ' O ' ' A' ' 40' ' ' GLU . 97.6 mt-10 -63.83 -39.33 93.96 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.011 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.7 m -64.8 -42.54 94.95 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.641 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.94 -41.33 87.17 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.661 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.528 ' CG ' HG23 ' A' ' 82' ' ' THR . 65.3 ttp -62.11 -41.1 97.88 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.616 -0.433 . . . . 0.0 112.014 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.79 -29.77 67.07 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.016 0.436 . . . . 0.0 110.041 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -54.56 -35.83 63.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.477 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.413 ' CD2' HD11 ' A' ' 4' ' ' LEU . 57.9 mt -59.12 -40.57 85.82 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 118.763 -1.175 . . . . 0.0 110.233 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.536 ' CG2' ' CE1' ' B' ' 16' ' ' HIS . 77.6 mt -63.89 -47.43 90.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.499 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.43 -41.59 97.42 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.486 -0.486 . . . . 0.0 112.256 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.445 ' O ' ' CD2' ' B' ' 18' ' ' HIS . 19.8 m -71.91 -38.26 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 119.833 -0.747 . . . . 0.0 110.014 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.31 -47.48 85.86 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.859 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.536 ' CE1' ' CG2' ' B' ' 12' ' ' ILE . 57.8 m170 -61.77 -46.88 87.67 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.539 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.24 -47.67 75.96 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.096 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' B' ' 14' ' ' VAL . 89.9 m-70 -62.55 -47.61 83.11 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.849 -0.74 . . . . 0.0 111.65 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 85.9 p -65.16 -35.62 81.67 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.236 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.07 -38.24 95.71 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.975 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -59.59 -41.05 89.4 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -124.16 152.51 42.74 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.063 0.459 . . . . 0.0 111.416 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.27 -163.39 0.13 Allowed Glycine 0 CA--C 1.519 0.339 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.51 136.97 47.79 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.421 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.463 ' HZ1' ' HB3' ' B' ' 16' ' ' HIS . 41.6 tttp -59.61 -37.83 79.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.293 0.568 . . . . 0.0 110.55 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -65.11 -27.46 68.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.343 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -112.96 143.37 44.36 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.684 0.754 . . . . 0.0 112.234 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.689 HD13 ' N ' ' B' ' 29' ' ' SER . 1.0 OUTLIER -103.96 124.39 48.91 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 114.51 -1.223 . . . . 0.0 107.876 179.228 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.689 ' N ' HD13 ' B' ' 28' ' ' LEU . 86.1 p -104.57 154.55 19.79 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.959 0.409 . . . . 0.0 110.601 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -57.4 -37.65 73.05 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.486 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -55.82 -41.43 74.21 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 118.695 -1.202 . . . . 0.0 108.512 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.44 -38.43 87.39 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.717 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.49 ' CD2' ' SD ' ' B' ' 58' ' ' MET . 23.7 tp -65.48 -49.11 70.28 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -60.8 -46.81 89.06 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.263 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.85 -38.45 86.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.669 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.534 HD21 ' OE1' ' B' ' 40' ' ' GLU . 9.8 tt -64.75 -44.2 90.86 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.437 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.438 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -69.11 -43.42 74.51 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.863 179.174 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -63.33 -45.4 91.44 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.705 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.2 m -70.44 -42.37 71.62 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.534 ' OE1' HD21 ' B' ' 36' ' ' LEU . 98.3 mt-10 -74.67 -33.76 62.55 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' B' ' 41' ' ' LEU . 62.4 mt -97.57 147.09 24.64 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -177.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.601 ' O ' ' N ' ' B' ' 44' ' ' PHE . 24.9 m -54.78 -29.7 54.84 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 113.448 -1.706 . . . . 0.0 109.095 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.615 ' O ' ' N ' ' B' ' 47' ' ' ALA . . . -45.14 -11.18 0.02 OUTLIER Glycine 0 CA--C 1.522 0.52 0 N-CA-C 109.974 -1.25 . . . . 0.0 109.974 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.601 ' N ' ' O ' ' B' ' 42' ' ' SER . 53.7 t80 -50.13 -42.9 51.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.01 -40.66 94.41 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.215 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -102.17 8.41 40.64 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.244 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.615 ' N ' ' O ' ' B' ' 43' ' ' GLY . . . -60.6 -30.84 70.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -177.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.713 ' O ' HG12 ' B' ' 51' ' ' VAL . 92.9 mt-30 -31.05 -101.79 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 55.6 pttt -58.33 -34.78 71.0 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.334 0.588 . . . . 0.0 110.66 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.06 -32.47 54.7 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.975 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.72 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.4 p -52.48 -34.74 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.812 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.661 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 52.8 p30 -59.52 -33.84 71.88 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.804 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.661 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -58.04 -27.5 63.63 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.72 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.2 p -54.09 -36.88 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 C-N-CA 119.819 -0.752 . . . . 0.0 109.549 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -65.61 -42.69 91.29 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 119.584 -0.846 . . . . 0.0 110.764 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.53 -40.36 96.81 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.471 ' O ' HD13 ' B' ' 61' ' ' LEU . 12.0 m -72.42 -32.71 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.49 ' SD ' ' CD2' ' B' ' 33' ' ' LEU . 92.4 mmm -57.53 -38.39 74.61 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.328 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -61.33 -46.01 92.05 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.946 -0.702 . . . . 0.0 112.076 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -70.1 -42.3 72.88 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.471 HD13 ' O ' ' B' ' 57' ' ' VAL . 7.0 mp -68.96 -36.9 78.44 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.429 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 53.2 t0 -85.29 109.41 18.34 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.384 -0.926 . . . . 0.0 110.954 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.81 -37.43 86.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.638 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.555 ' O ' ' N ' ' B' ' 66' ' ' ASP . 38.4 p-10 -91.13 7.54 40.06 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' B' ' 64' ' ' ASN . . . 36.88 26.58 0.01 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.643 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 55.3 p30 -61.43 -32.18 72.14 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.643 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 98.62 -5.0 60.0 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -178.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 96.5 mt-10 -112.77 151.56 30.18 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.482 HG21 HD22 ' B' ' 33' ' ' LEU . 41.9 t -110.18 133.51 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.431 0.634 . . . . 0.0 110.766 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 56.8 t0 -98.77 152.87 19.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.827 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.449 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 76.8 t80 -50.95 -40.8 58.31 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.439 -0.904 . . . . 0.0 109.246 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.432 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.5 tt0 -58.43 -41.09 84.29 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.09 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.423 ' O ' HG22 ' B' ' 76' ' ' VAL . 96.6 mt-10 -68.19 -39.46 82.5 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.47 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -63.41 -45.2 92.09 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.481 HG13 ' HB1' ' A' ' 79' ' ' ALA . 3.7 p -60.08 -39.1 79.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.779 -178.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 73' ' ' GLU . 32.7 m -76.5 -32.98 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.35 -0.54 . . . . 0.0 109.808 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.404 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.6 tt -61.28 -41.29 96.7 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.485 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 m -72.21 -32.37 42.77 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 C-N-CA 120.214 -0.595 . . . . 0.0 111.095 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.476 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -61.82 -36.71 81.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.561 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.71 -45.75 85.22 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.895 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.498 HD12 ' H ' ' B' ' 81' ' ' LEU . 6.3 mp -66.47 -35.54 80.53 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.666 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.527 HG23 ' CG ' ' A' ' 8' ' ' MET . 55.0 m -53.03 -36.07 60.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.387 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.0 t -57.42 -36.96 55.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.171 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.32 73.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 11.9 tpt -55.93 -39.01 71.06 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.964 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.437 ' H ' ' ND2' ' B' ' 86' ' ' ASN . 15.1 m-80 -60.32 -42.67 96.09 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.914 -0.714 . . . . 0.0 109.1 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -63.57 -41.61 98.38 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 114.605 -1.18 . . . . 0.0 111.771 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -66.11 -35.52 80.71 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.599 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -53.47 -38.8 63.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.05 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.11 -35.08 61.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.505 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.48 -32.7 72.72 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.482 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.31 120.18 39.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.555 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 34.8 t . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.528 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 40' ' ' GLU . 39.5 t -107.52 138.22 44.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.661 0.267 . . . . 0.0 110.673 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.86 -38.12 89.58 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.196 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.54 -41.85 97.95 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.784 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.93 -41.49 91.29 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.775 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -61.67 -43.5 98.75 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.79 -40.06 83.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.241 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.628 ' CG ' HG23 ' B' ' 82' ' ' THR . 64.9 ttp -62.03 -43.38 98.96 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.59 -31.05 67.69 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 120.964 0.411 . . . . 0.0 110.138 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -55.79 -36.46 67.42 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.401 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.3 -41.85 97.67 Favored 'General case' 0 C--N 1.343 0.326 0 C-N-CA 118.813 -1.155 . . . . 0.0 110.547 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.494 HD12 ' CE ' ' B' ' 85' ' ' MET . 76.6 mt -65.89 -43.59 92.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.147 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -61.03 -41.5 96.69 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.199 -0.601 . . . . 0.0 111.979 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 m -74.77 -39.05 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.965 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -64.18 -51.25 64.7 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.41 0.624 . . . . 0.0 110.528 179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.475 ' NE2' ' CE ' ' A' ' 25' ' ' LYS . 81.7 t60 -64.03 -47.52 79.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.642 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.2 95.43 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.14 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.592 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 83.7 t60 -62.76 -46.27 88.81 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.701 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -60.32 -41.11 92.81 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.337 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.32 -39.79 98.22 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.734 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.1 -42.21 94.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.519 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -129.07 149.65 50.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.833 0.349 . . . . 0.0 111.634 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.54 -158.1 32.51 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -74.29 133.8 42.6 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' CE ' ' NE2' ' A' ' 16' ' ' HIS . 27.1 tttt -60.94 -40.48 93.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.23 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -66.24 -32.89 74.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.442 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -120.52 145.64 47.1 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -108.73 133.46 52.78 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.113 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -103.15 152.35 21.54 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' NZ ' ' CG ' ' A' ' 58' ' ' MET . 46.8 tttp -56.1 -37.24 69.11 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 118.938 -1.105 . . . . 0.0 110.529 -178.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.37 -40.89 71.88 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 118.863 -1.135 . . . . 0.0 108.09 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.592 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 96.3 mt-10 -67.66 -39.05 84.56 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.81 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.3 tp -64.58 -45.07 88.58 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -59.68 -47.21 86.54 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 119.629 -0.828 . . . . 0.0 111.341 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -65.14 -41.37 94.84 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.418 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.429 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 24.9 tp -62.17 -55.62 26.86 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.0 tp -69.13 -41.73 76.95 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.743 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.504 ' NE2' ' CG2' ' A' ' 51' ' ' VAL . 94.0 mt-30 -64.33 -41.52 96.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.998 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.3 m -69.25 -43.66 73.52 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' B' ' 2' ' ' SER . 76.9 mm-40 -75.33 -32.24 60.86 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.591 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.3 tp -100.85 138.06 38.41 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.578 0.704 . . . . 0.0 112.393 -177.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.604 ' O ' ' N ' ' A' ' 44' ' ' PHE . 25.7 m -51.28 -27.99 10.79 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.283 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.591 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -43.91 -10.86 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.604 ' N ' ' O ' ' A' ' 42' ' ' SER . 66.6 t80 -47.33 -35.55 8.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.9 tp -53.77 -34.9 60.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.605 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.52 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 43.1 p30 -79.26 11.19 3.02 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.96 0.409 . . . . 0.0 110.244 -179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -58.68 -23.45 59.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.524 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.669 ' O ' HG12 ' A' ' 51' ' ' VAL . 93.7 mt-30 -54.35 -155.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.812 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -56.67 -28.52 60.87 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.788 0.328 . . . . 0.0 110.911 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.92 -33.99 62.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.198 0.523 . . . . 0.0 109.782 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 48' ' ' GLN . 5.9 p -52.47 -28.64 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.352 -179.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -53.4 -35.21 60.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.836 0.35 . . . . 0.0 110.692 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.69 -27.95 59.9 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.062 0.458 . . . . 0.0 110.232 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.9 p -52.41 -37.9 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -65.62 -41.45 92.69 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.571 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -62.56 -39.67 94.39 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 54' ' ' VAL . 16.3 m -71.03 -30.45 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 120.184 -0.606 . . . . 0.0 112.572 -178.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.476 ' CG ' ' NZ ' ' A' ' 30' ' ' LYS . 95.1 mmm -56.43 -38.07 71.07 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.83 -43.27 98.48 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.664 -0.814 . . . . 0.0 111.543 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.06 -41.25 74.43 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.497 -0.481 . . . . 0.0 112.141 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.26 -36.55 81.81 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.512 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 50.3 t0 -84.61 103.84 14.08 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.819 -0.752 . . . . 0.0 111.194 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.69 -37.41 84.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.499 0.666 . . . . 0.0 109.629 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -58.75 -37.76 76.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.9 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.25 5.15 87.35 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 107.819 -2.112 . . . . 0.0 107.819 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.642 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 49.2 p30 -63.85 -32.94 74.63 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 114.127 -1.036 . . . . 0.0 112.502 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.642 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.88 -2.01 61.64 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 68' ' ' GLU . 59.0 mp0 -109.55 154.36 22.83 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -106.29 132.92 52.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.689 0.757 . . . . 0.0 112.164 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -102.24 160.64 14.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.299 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -52.39 -43.29 64.67 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.085 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.81 -41.48 91.34 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.221 -0.591 . . . . 0.0 110.385 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -66.12 -37.58 86.07 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.124 0.488 . . . . 0.0 110.547 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.423 ' O ' HG13 ' A' ' 78' ' ' VAL . 79.1 t80 -63.27 -42.88 99.16 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 121.524 0.678 . . . . 0.0 111.394 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.736 ' CG1' ' HB1' ' B' ' 79' ' ' ALA . 0.9 OUTLIER -62.12 -45.99 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.328 -179.053 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.9 m -72.09 -33.11 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 119.361 -0.936 . . . . 0.0 109.795 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.461 ' C ' HD23 ' A' ' 77' ' ' LEU . 10.1 tt -61.19 -42.72 99.09 Favored 'General case' 0 CA--C 1.527 0.078 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.458 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 74' ' ' TYR . 22.9 m -72.41 -31.14 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.373 0.606 . . . . 0.0 111.355 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.734 ' HB1' ' CG1' ' B' ' 75' ' ' VAL . . . -59.24 -40.59 86.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.523 -0.762 . . . . 0.0 112.217 -178.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.41 96.65 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.669 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.505 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.4 mp -65.4 -36.55 84.3 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.382 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.626 HG23 ' CG ' ' B' ' 8' ' ' MET . 44.2 m -53.11 -37.59 61.88 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.38 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.53 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 75.0 t -59.9 -36.24 65.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.603 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.83 72.94 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.494 ' HE1' HD12 ' B' ' 12' ' ' ILE . 2.6 ttp -56.82 -38.22 72.3 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 119.468 -0.893 . . . . 0.0 110.566 -178.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.69 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 31.4 p-10 -63.61 -40.04 95.9 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 118.975 -1.09 . . . . 0.0 110.252 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.69 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 20.6 t-20 -62.86 -45.5 92.29 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.021 179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.95 -48.99 66.87 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.824 0.821 . . . . 0.0 110.846 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -55.69 -38.51 69.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.027 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -53.86 -33.67 57.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.708 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.21 -33.42 67.49 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.449 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -100.44 120.35 39.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.504 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.534 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 39.2 t -107.49 138.21 44.11 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.711 0.291 . . . . 0.0 110.698 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.97 -38.06 89.6 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.167 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 25.7 tp -61.57 -41.81 97.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.709 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.94 -41.61 91.09 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.743 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 43.6 m -61.64 -43.4 98.94 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.88 -40.06 83.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.227 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.626 ' CG ' HG23 ' A' ' 82' ' ' THR . 64.9 ttp -62.0 -43.38 98.96 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.55 -31.05 67.61 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 120.96 0.409 . . . . 0.0 110.178 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 34.8 m -55.9 -36.4 67.64 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.388 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 mt -61.23 -41.99 97.83 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 118.877 -1.129 . . . . 0.0 110.498 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.494 HD12 ' HE1' ' A' ' 85' ' ' MET . 76.5 mt -65.73 -43.65 93.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.195 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -61.04 -41.6 96.89 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.292 -0.563 . . . . 0.0 111.87 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.7 m -74.78 -39.08 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -64.14 -51.18 65.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.367 0.604 . . . . 0.0 110.56 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.476 ' NE2' ' CE ' ' B' ' 25' ' ' LYS . 81.7 t60 -64.06 -47.51 79.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.615 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.29 -43.22 95.43 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.104 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.588 ' NE2' ' O ' ' B' ' 32' ' ' GLU . 83.8 t60 -62.83 -46.35 88.35 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.634 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -60.25 -41.06 92.38 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.387 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.38 -39.82 98.21 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.714 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.97 -42.26 93.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.523 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -129.11 149.59 50.86 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.642 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.63 -158.06 32.96 Favored Glycine 0 CA--C 1.518 0.276 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 178.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -74.35 133.84 42.52 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.476 ' CE ' ' NE2' ' B' ' 16' ' ' HIS . 27.2 tttt -60.97 -40.47 93.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.172 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -66.14 -33.04 74.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.453 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -120.43 145.68 46.98 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.584 0.707 . . . . 0.0 112.718 -178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tt -108.73 133.45 52.79 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.137 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -103.21 152.31 21.62 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.475 ' NZ ' ' CG ' ' B' ' 58' ' ' MET . 46.8 tttp -56.17 -37.2 69.24 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 118.916 -1.114 . . . . 0.0 110.423 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -55.36 -40.92 71.87 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 118.844 -1.143 . . . . 0.0 108.088 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.588 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 96.3 mt-10 -67.53 -39.15 85.07 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.823 177.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 37.4 tp -64.61 -45.0 88.77 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -59.68 -47.3 86.18 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.346 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -65.02 -41.43 95.31 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.441 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.432 ' HB2' ' CD2' ' B' ' 18' ' ' HIS . 25.1 tp -62.12 -55.67 26.48 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.4 HD21 HD22 ' B' ' 81' ' ' LEU . 33.8 tp -69.12 -41.67 77.08 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.074 -0.966 . . . . 0.0 112.788 -177.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.504 ' NE2' ' CG2' ' B' ' 51' ' ' VAL . 94.0 mt-30 -64.3 -41.58 96.79 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.983 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.1 m -69.33 -43.47 73.65 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 2' ' ' SER . 77.0 mm-40 -75.41 -32.21 60.67 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -178.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.595 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.3 tp -100.84 138.12 38.32 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.575 0.703 . . . . 0.0 112.361 -177.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.613 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.4 m -51.31 -28.0 10.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.32 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.595 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -43.85 -10.89 0.01 OUTLIER Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.613 ' N ' ' O ' ' B' ' 42' ' ' SER . 66.5 t80 -47.35 -35.53 8.26 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -53.74 -34.98 60.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.601 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.513 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 42.9 p30 -79.23 11.22 2.98 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.012 0.434 . . . . 0.0 110.279 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -58.66 -23.44 59.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.584 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.672 ' O ' HG12 ' B' ' 51' ' ' VAL . 93.7 mt-30 -54.33 -155.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.791 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -56.73 -28.53 61.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.879 -179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.93 -34.03 62.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.14 0.495 . . . . 0.0 109.751 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.672 HG12 ' O ' ' B' ' 48' ' ' GLN . 5.9 p -52.35 -28.69 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.4 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -53.4 -35.26 60.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.762 0.315 . . . . 0.0 110.682 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.65 -27.92 59.53 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.108 0.48 . . . . 0.0 110.266 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.598 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.0 p -52.51 -37.81 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -65.63 -41.49 92.6 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.529 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -62.47 -39.69 94.25 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 54' ' ' VAL . 16.1 m -71.04 -30.49 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.475 ' CG ' ' NZ ' ' B' ' 30' ' ' LYS . 95.2 mmm -56.33 -38.09 70.85 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -60.97 -43.17 99.17 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.502 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.99 -41.2 74.7 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.549 -0.46 . . . . 0.0 112.203 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.36 -36.57 81.67 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.518 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 50.2 t0 -84.52 103.8 13.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.802 -0.759 . . . . 0.0 111.247 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.67 -37.44 84.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.443 0.64 . . . . 0.0 109.639 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -58.68 -37.77 76.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.965 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.28 5.18 87.42 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 107.772 -2.131 . . . . 0.0 107.772 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.644 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 49.1 p30 -63.85 -33.0 74.72 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 114.124 -1.038 . . . . 0.0 112.459 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.644 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.83 -1.95 61.71 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.417 ' N ' ' OE1' ' B' ' 68' ' ' GLU . 59.0 mp0 -109.49 154.42 22.7 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 38.6 t -106.39 132.92 52.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.717 0.77 . . . . 0.0 112.094 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -102.25 160.67 14.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.389 -1.278 . . . . 0.0 108.287 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -52.4 -43.3 64.69 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.045 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -59.73 -41.58 91.23 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.36 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -66.12 -37.53 85.95 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.589 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.427 ' O ' HG13 ' B' ' 78' ' ' VAL . 78.8 t80 -63.21 -42.99 99.38 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.423 0.63 . . . . 0.0 111.398 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.734 ' CG1' ' HB1' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -62.12 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.348 -179.02 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 24.4 m -72.05 -33.21 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 119.472 -0.891 . . . . 0.0 109.817 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.459 HD23 ' C ' ' B' ' 77' ' ' LEU . 10.1 tt -61.14 -42.76 99.13 Favored 'General case' 0 CA--C 1.526 0.04 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.52 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.427 HG13 ' O ' ' B' ' 74' ' ' TYR . 22.7 m -72.36 -31.15 37.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.397 0.618 . . . . 0.0 111.42 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.736 ' HB1' ' CG1' ' A' ' 75' ' ' VAL . . . -59.21 -40.59 86.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.155 -178.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.43 96.47 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 119.561 -0.855 . . . . 0.0 110.585 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.511 HD12 ' H ' ' B' ' 81' ' ' LEU . 6.4 mp -65.36 -36.59 84.48 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.394 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.628 HG23 ' CG ' ' A' ' 8' ' ' MET . 43.8 m -53.03 -37.65 61.73 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.364 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.528 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 75.5 t -59.93 -36.22 65.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.566 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.9 -31.8 72.94 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.494 ' CE ' HD12 ' A' ' 12' ' ' ILE . 2.6 ttp -56.84 -38.13 72.23 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 119.47 -0.892 . . . . 0.0 110.582 -178.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.688 ' OD1' ' N ' ' B' ' 87' ' ' ASN . 31.6 p-10 -63.72 -39.99 95.67 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.078 -1.049 . . . . 0.0 110.205 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.688 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 20.5 t-20 -62.9 -45.55 91.99 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.96 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -66.81 -49.08 66.95 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.859 0.838 . . . . 0.0 110.919 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -55.64 -38.45 69.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.121 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -53.86 -33.75 57.32 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.722 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.14 -33.39 67.35 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.426 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -100.58 120.41 40.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.487 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 m -62.67 155.57 25.94 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.937 0.398 . . . . 0.0 110.446 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.95 -35.85 75.84 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.075 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.403 ' CD1' ' CD2' ' B' ' 11' ' ' LEU . 39.5 tp -62.77 -41.78 99.39 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 119.996 -0.681 . . . . 0.0 110.013 178.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.01 -41.49 98.13 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.6 m -64.38 -38.85 92.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.277 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -63.9 -43.51 95.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.635 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.532 ' HB2' HG23 ' B' ' 82' ' ' THR . 11.6 ptp -62.65 -38.87 91.98 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 119.463 -0.895 . . . . 0.0 111.393 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -56.93 -32.64 66.17 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.941 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.596 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 64.4 p -63.71 -31.89 73.21 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.504 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.523 HD12 HG21 ' B' ' 82' ' ' THR . 52.3 mt -63.44 -42.33 98.68 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.948 -179.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -64.81 -48.04 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.05 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -60.25 -43.24 96.28 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 10' ' ' THR . 13.7 m -72.39 -37.37 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.78 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -61.85 -53.16 59.67 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.326 -0.95 . . . . 0.0 110.6 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -64.29 -46.45 83.59 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -50.81 63.31 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 119.674 -0.811 . . . . 0.0 112.129 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.682 ' CG ' HD13 ' A' ' 36' ' ' LEU . 74.3 m80 -65.06 -49.24 70.85 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.153 -0.619 . . . . 0.0 112.103 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.9 p -65.91 -33.76 76.57 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.09 -38.04 94.87 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.767 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.61 -40.53 83.54 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -124.77 149.36 47.42 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.78 -167.77 44.72 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.2 138.72 45.81 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -60.44 -38.38 83.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.151 0.501 . . . . 0.0 110.524 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -66.84 -32.44 73.71 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -117.21 145.99 43.54 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -106.04 129.62 54.12 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.8 m -104.59 157.04 17.44 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.167 0.508 . . . . 0.0 111.985 -177.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HZ1' HG13 ' A' ' 54' ' ' VAL . 7.5 tptp -54.55 -41.8 70.22 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.598 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -59.86 -40.87 90.08 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.198 -1.001 . . . . 0.0 109.705 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.84 -39.15 93.11 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.229 0.538 . . . . 0.0 109.947 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' CD2' ' SD ' ' A' ' 58' ' ' MET . 24.1 tp -63.47 -42.77 98.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.741 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -61.13 -45.41 94.8 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.143 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.86 -41.64 86.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.945 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.682 HD13 ' CG ' ' A' ' 18' ' ' HIS . 52.3 tp -65.86 -49.1 69.33 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 119.956 -0.698 . . . . 0.0 112.425 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.564 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 2.5 mm? -69.95 -41.08 75.03 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 119.714 -0.794 . . . . 0.0 112.018 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.51 HE21 ' HA ' ' A' ' 44' ' ' PHE . 44.3 tp60 -63.64 -43.15 97.62 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.385 -0.926 . . . . 0.0 110.749 -179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.72 -42.73 73.61 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.667 ' OE2' HD11 ' A' ' 36' ' ' LEU . 98.0 mt-10 -73.84 -31.98 63.46 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.495 HD11 HD13 ' A' ' 81' ' ' LEU . 68.3 mt -94.1 146.81 23.7 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 122.346 1.069 . . . . 0.0 113.83 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' PHE . 87.1 p -57.88 -25.4 60.71 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 113.778 -1.556 . . . . 0.0 109.228 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 47' ' ' ALA . . . -46.92 -13.1 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 42' ' ' SER . 63.1 t80 -51.32 -44.36 61.95 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.01 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.9 tp -63.34 -39.11 93.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.113 0.482 . . . . 0.0 110.907 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -98.32 15.79 23.53 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.412 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.597 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -55.05 -30.63 60.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -177.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.603 ' O ' HG12 ' A' ' 51' ' ' VAL . 93.5 mt-30 -32.65 -111.13 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -178.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -57.66 -31.49 66.37 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.921 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -53.25 -33.83 54.67 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.026 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.721 ' O ' HG12 ' A' ' 54' ' ' VAL . 7.3 p -52.44 -36.76 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 119.503 -0.879 . . . . 0.0 110.451 -179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -57.13 -36.89 71.24 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.085 0.469 . . . . 0.0 110.687 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.99 -28.11 64.1 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.171 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 51' ' ' VAL . 3.6 p -54.82 -36.76 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 C-N-CA 119.357 -0.937 . . . . 0.0 109.073 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -65.63 -42.66 91.23 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.927 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.48 -40.81 98.09 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 m -72.7 -34.11 46.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.453 ' SD ' ' CD2' ' A' ' 33' ' ' LEU . 94.2 mmm -59.7 -37.82 79.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -179.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -60.3 -43.47 96.29 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.944 -0.703 . . . . 0.0 112.27 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.64 -41.23 75.87 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.142 -0.623 . . . . 0.0 112.111 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.92 -37.52 81.76 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.501 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 52.1 t0 -85.14 100.16 11.55 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.479 -0.888 . . . . 0.0 110.941 -179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -68.54 -35.96 78.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.33 0.586 . . . . 0.0 109.979 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -59.15 -38.59 80.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.784 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.06 3.43 90.58 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 107.906 -2.078 . . . . 0.0 107.906 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.7 p30 -63.46 -33.82 76.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 114.181 -1.009 . . . . 0.0 112.729 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.653 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.91 -0.63 64.72 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.97 149.9 28.54 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.435 HG13 ' HB2' ' A' ' 73' ' ' GLU . 38.4 t -112.99 132.62 61.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.218 0.532 . . . . 0.0 111.065 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 47.5 p30 -106.15 171.03 7.57 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -53.86 -42.14 68.23 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.841 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.483 ' O ' HG12 ' A' ' 75' ' ' VAL . 51.1 tt0 -59.15 -42.39 90.58 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.842 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 76' ' ' VAL . 95.4 mt-10 -68.57 -38.08 80.42 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.92 -0.712 . . . . 0.0 110.476 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -63.25 -44.41 95.28 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.2 p -59.89 -39.22 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.07 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.858 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 73' ' ' GLU . 31.9 m -76.42 -33.18 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.889 178.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.11 -42.32 94.48 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.468 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.5 m -73.34 -32.23 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.04 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.71 94.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.735 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.06 -43.22 92.96 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.245 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.554 ' CD1' HD12 ' A' ' 37' ' ' LEU . 75.0 mt -64.95 -36.8 85.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.554 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.526 HG23 ' HB2' ' B' ' 8' ' ' MET . 48.6 m -54.61 -36.82 64.87 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.111 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.84 -35.09 54.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.045 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.26 80.39 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.191 -0.603 . . . . 0.0 110.503 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.2 ttt -60.0 -39.44 85.79 Favored 'General case' 0 CA--C 1.516 -0.361 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.378 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -58.23 -42.07 85.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.1 -41.84 97.4 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.375 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -60.8 -41.59 95.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.463 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -53.81 -39.4 65.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.062 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -54.42 -34.7 61.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.076 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.63 -33.21 68.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.507 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -99.68 120.51 39.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.524 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.602 179.896 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.4 m -62.69 155.63 25.85 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 120.899 0.381 . . . . 0.0 110.503 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.94 -35.93 75.99 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.041 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 39.5 tp -62.77 -41.74 99.37 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.049 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.99 -41.54 98.15 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.5 m -64.37 -38.97 92.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.267 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.596 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -63.8 -43.36 96.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.116 -0.947 . . . . 0.0 112.643 -178.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.526 ' HB2' HG23 ' A' ' 82' ' ' THR . 11.4 ptp -62.82 -38.84 92.32 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.316 -178.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.03 -32.55 66.29 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.95 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.605 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 66.5 p -63.72 -31.87 73.17 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.551 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.525 HD12 HG21 ' A' ' 82' ' ' THR . 52.0 mt -63.38 -42.35 98.83 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.963 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.7 mt -64.94 -47.93 86.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.065 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -60.28 -43.23 96.41 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.5 HG13 ' O ' ' B' ' 10' ' ' THR . 13.7 m -72.47 -37.3 56.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.754 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -61.89 -53.15 59.81 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.566 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -64.27 -46.55 83.21 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.73 -50.84 63.36 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 119.742 -0.783 . . . . 0.0 111.991 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.691 ' CG ' HD13 ' B' ' 36' ' ' LEU . 74.3 m80 -65.05 -49.21 70.98 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.143 -0.623 . . . . 0.0 112.167 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 85.8 p -65.93 -33.7 76.42 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.19 -37.98 94.67 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-N 115.495 -0.775 . . . . 0.0 112.719 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.5 -40.83 83.89 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.894 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -124.6 149.35 47.14 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.009 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.68 -167.78 44.34 Favored Glycine 0 CA--C 1.518 0.279 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.1 138.71 45.98 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -60.45 -38.39 84.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.136 0.493 . . . . 0.0 110.52 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -66.92 -32.28 73.43 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -117.41 146.1 43.67 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 tt -106.11 129.58 54.17 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.6 m -104.53 157.03 17.45 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.261 0.553 . . . . 0.0 111.92 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.416 ' HZ1' HG13 ' B' ' 54' ' ' VAL . 7.5 tptp -54.61 -41.75 70.33 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.627 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.97 -40.77 90.2 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.697 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.76 -39.19 93.21 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.287 0.565 . . . . 0.0 109.999 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.456 ' CD2' ' SD ' ' B' ' 58' ' ' MET . 24.1 tp -63.47 -42.68 98.59 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.806 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -61.14 -45.47 94.53 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.116 -179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.83 -41.59 87.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.013 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.691 HD13 ' CG ' ' B' ' 18' ' ' HIS . 52.2 tp -65.91 -49.13 69.09 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 119.963 -0.695 . . . . 0.0 112.447 -178.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 2.5 mm? -69.91 -41.08 75.15 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 119.758 -0.777 . . . . 0.0 112.043 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.502 HE21 ' HA ' ' B' ' 44' ' ' PHE . 44.4 tp60 -63.68 -43.1 97.64 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.708 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.2 m -69.73 -42.82 73.47 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.665 ' OE2' HD11 ' B' ' 36' ' ' LEU . 98.0 mt-10 -73.78 -32.1 63.61 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.505 HD11 HD13 ' B' ' 81' ' ' LEU . 68.6 mt -93.94 146.91 23.58 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 122.43 1.11 . . . . 0.0 113.79 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.526 ' O ' ' N ' ' B' ' 44' ' ' PHE . 87.0 p -57.93 -25.51 61.01 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 113.84 -1.527 . . . . 0.0 109.246 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' B' ' 47' ' ' ALA . . . -46.84 -13.05 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' B' ' 42' ' ' SER . 63.3 t80 -51.32 -44.43 61.96 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 120.241 -0.584 . . . . 0.0 109.962 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 27.8 tp -63.32 -39.08 93.56 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.149 0.5 . . . . 0.0 110.938 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -98.29 15.76 23.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.401 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.598 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -55.1 -30.57 59.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.598 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.6 mt-30 -32.74 -111.09 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -57.63 -31.5 66.33 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.952 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -53.37 -33.74 54.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.0 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.718 ' O ' HG12 ' B' ' 54' ' ' VAL . 7.2 p -52.54 -36.71 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.414 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -57.12 -36.87 71.18 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.751 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.11 -27.91 64.14 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.176 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.718 HG12 ' O ' ' B' ' 51' ' ' VAL . 3.6 p -54.91 -36.78 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 C-N-CA 119.421 -0.911 . . . . 0.0 108.987 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -65.7 -42.63 90.96 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 119.874 -0.731 . . . . 0.0 110.936 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.53 -40.82 98.02 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 17.8 m -72.58 -34.09 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.456 ' SD ' ' CD2' ' B' ' 33' ' ' LEU . 94.3 mmm -59.63 -37.83 79.71 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -60.34 -43.44 96.44 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.27 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.64 -41.25 75.84 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.148 -0.621 . . . . 0.0 112.095 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.78 -37.73 82.44 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.512 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 52.0 t0 -85.04 100.18 11.51 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.517 -0.873 . . . . 0.0 110.987 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -68.56 -36.06 78.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.303 0.573 . . . . 0.0 109.938 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -59.0 -38.68 79.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.75 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.1 3.46 90.56 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.645 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.0 p30 -63.55 -33.8 76.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.194 -1.003 . . . . 0.0 112.654 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.645 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.92 -0.65 64.72 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.89 149.94 28.42 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.438 HG13 ' HB2' ' B' ' 73' ' ' GLU . 38.6 t -113.07 132.46 61.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.224 0.535 . . . . 0.0 111.049 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.439 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 47.5 p30 -106.05 170.99 7.58 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 177.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -53.8 -42.03 67.93 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.864 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.484 ' O ' HG12 ' B' ' 75' ' ' VAL . 51.0 tt0 -59.26 -42.41 91.08 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.764 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.445 ' O ' HG22 ' B' ' 76' ' ' VAL . 95.4 mt-10 -68.52 -38.13 80.63 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.487 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -63.23 -44.46 95.19 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.484 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.2 p -59.8 -39.22 79.26 Favored 'Isoleucine or valine' 0 C--O 1.23 0.071 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.934 -178.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.445 HG22 ' O ' ' B' ' 73' ' ' GLU . 31.3 m -76.36 -33.23 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.008 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.1 -42.27 94.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.478 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -73.35 -32.3 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.006 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.72 94.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.708 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.13 -43.08 93.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.271 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.554 ' CD1' HD12 ' B' ' 37' ' ' LEU . 75.5 mt -65.01 -36.81 85.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.502 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.532 HG23 ' HB2' ' A' ' 8' ' ' MET . 47.0 m -54.69 -36.79 65.05 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.065 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.0 t -58.86 -35.08 54.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.031 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.33 80.31 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 120.219 -0.593 . . . . 0.0 110.503 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 25.2 ttt -60.05 -39.44 85.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 119.562 -0.855 . . . . 0.0 109.334 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -58.26 -42.08 85.65 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 120.069 -0.652 . . . . 0.0 109.324 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.02 -41.87 97.37 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.367 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -60.77 -41.62 95.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.47 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -53.8 -39.41 65.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.047 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -54.43 -34.67 61.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.083 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.65 -33.18 68.04 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -99.63 120.43 39.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.623 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.541 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.635 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.491 ' OG ' ' CG ' ' B' ' 40' ' ' GLU . 32.9 t -107.4 141.87 38.12 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.79 0.328 . . . . 0.0 110.592 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.69 -36.99 80.15 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.933 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.9 tp -61.23 -42.04 97.92 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.172 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.73 -42.19 91.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.526 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.5 m -63.26 -42.82 99.21 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.122 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.56 -39.87 84.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.06 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.595 ' CG ' HG23 ' B' ' 82' ' ' THR . 60.8 ttp -61.05 -42.04 97.74 Favored 'General case' 0 C--O 1.24 0.554 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.06 -31.27 66.89 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.07 0.462 . . . . 0.0 110.06 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.401 ' O ' HG13 ' A' ' 14' ' ' VAL . 35.1 m -56.3 -35.83 67.96 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.843 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.6 mt -59.6 -42.37 92.41 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 118.997 -1.081 . . . . 0.0 111.159 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.1 mt -65.96 -46.35 88.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.228 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -61.65 -41.63 97.79 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.585 -0.446 . . . . 0.0 112.16 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.432 ' C ' ' HD1' ' A' ' 18' ' ' HIS . 16.3 m -73.04 -38.5 55.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.364 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -60.84 -46.85 88.95 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.677 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.81 -48.0 78.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.994 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.19 -51.21 56.35 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.227 -0.589 . . . . 0.0 112.006 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.624 ' CG ' HD13 ' A' ' 36' ' ' LEU . 75.5 m80 -61.51 -46.37 90.26 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 t -61.49 -40.6 95.17 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.35 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.9 -36.26 93.06 Favored Glycine 0 CA--C 1.522 0.529 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.556 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.44 -41.68 85.62 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.492 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -129.66 144.74 51.42 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.608 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.54 -163.75 54.78 Favored Glycine 0 C--N 1.331 0.298 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.42 137.37 48.25 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -61.83 -38.82 89.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.071 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -66.41 -34.18 77.37 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.67 147.18 48.71 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -106.68 125.6 51.21 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.677 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.6 p -87.06 159.08 19.06 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.797 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -57.81 -39.32 77.29 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.147 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -59.33 -42.03 90.5 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.476 -0.89 . . . . 0.0 109.818 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.492 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 98.0 mt-10 -65.65 -38.73 90.17 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 109.735 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.1 tp -62.82 -42.14 99.6 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.588 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.14 -43.22 99.23 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.451 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.65 -40.16 94.95 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.653 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.624 HD13 ' CG ' ' A' ' 18' ' ' HIS . 30.2 tp -62.69 -48.03 81.04 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.961 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.647 HD13 ' CD1' ' A' ' 81' ' ' LEU . 59.9 mt -68.39 -36.9 79.82 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.947 -0.701 . . . . 0.0 110.922 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.57 -44.54 96.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.587 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.5 m -80.76 -53.62 6.34 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.588 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 49.5 mp0 -76.6 -27.47 55.78 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -177.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.712 ' CD1' ' H ' ' A' ' 43' ' ' GLY . 0.4 OUTLIER -88.85 125.45 34.93 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 119.486 -0.885 . . . . 0.0 110.565 -177.011 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.578 ' O ' ' N ' ' A' ' 44' ' ' PHE . 23.7 m -55.66 -32.77 63.51 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.858 -179.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.712 ' H ' ' CD1' ' A' ' 41' ' ' LEU . . . -45.24 -13.11 0.04 OUTLIER Glycine 0 CA--C 1.52 0.397 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.578 ' N ' ' O ' ' A' ' 42' ' ' SER . 78.5 t80 -50.16 -42.97 51.95 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.914 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.67 -36.95 82.33 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.557 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 58.8 t0 -104.58 13.83 30.96 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.875 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.923 ' HB1' ' CG2' ' A' ' 51' ' ' VAL . . . -58.47 -41.25 84.81 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.59 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.598 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.8 mt-30 28.39 -158.95 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.637 0.732 . . . . 0.0 112.329 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -58.18 -22.16 50.36 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.832 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -51.6 -32.76 29.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.048 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.923 ' CG2' ' HB1' ' A' ' 47' ' ' ALA . 48.0 t -52.06 -38.95 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 C-N-CA 119.819 -0.752 . . . . 0.0 110.336 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -54.67 -35.71 63.85 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.016 0.436 . . . . 0.0 110.639 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.15 -27.61 62.02 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.169 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.0 p -52.1 -37.13 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -65.98 -43.35 88.1 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.107 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.52 -41.32 98.78 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.8 m -73.09 -29.59 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.338 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.9 ttt -54.9 -39.62 68.96 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.937 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.88 -42.45 93.79 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.42 -41.25 93.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.562 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.6 mt -66.99 -38.37 85.9 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.538 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 53.1 t0 -89.56 108.14 19.49 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.694 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.62 -34.64 77.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.26 0.552 . . . . 0.0 109.989 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -58.44 -39.45 79.87 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.294 -178.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.48 6.75 84.68 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 108.241 -1.944 . . . . 0.0 108.241 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.658 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 48.8 p30 -63.31 -33.28 75.18 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 114.381 -0.91 . . . . 0.0 112.866 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.658 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.75 -3.64 62.98 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.43 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 95.9 mt-10 -114.77 155.64 26.33 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.16 153.54 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-O 121.679 0.752 . . . . 0.0 111.915 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 50.5 p30 -117.54 177.49 4.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.36 -1.291 . . . . 0.0 108.474 178.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -54.16 -42.65 69.82 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.949 -0.701 . . . . 0.0 110.771 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.458 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.9 tt0 -59.58 -43.11 93.73 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 120.323 -0.551 . . . . 0.0 112.001 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -69.57 -37.68 77.09 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.884 -0.726 . . . . 0.0 110.697 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.431 ' O ' HG13 ' A' ' 78' ' ' VAL . 71.3 t80 -62.24 -45.83 91.56 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.6 p -60.95 -39.77 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.021 -0.672 . . . . 0.0 111.42 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 m -76.43 -34.26 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 120.049 -0.661 . . . . 0.0 110.34 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.409 ' C ' HD23 ' A' ' 77' ' ' LEU . 9.5 tt -61.75 -41.89 98.27 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.779 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 74' ' ' TYR . 12.8 m -73.12 -33.0 41.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.364 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.29 88.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.019 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.92 96.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.954 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.647 ' CD1' HD13 ' A' ' 37' ' ' LEU . 67.9 mt -64.29 -36.65 84.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.15 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.602 HG23 ' CG ' ' B' ' 8' ' ' MET . 61.9 m -52.93 -37.68 61.11 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.483 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.3 t -59.92 -35.61 61.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.62 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.61 90.6 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.125 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.0 ttp -60.34 -39.0 85.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.033 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -58.55 -42.28 87.49 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.345 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -60.98 -41.63 96.78 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.424 178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -60.77 -41.58 95.79 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.286 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.73 -39.83 65.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.97 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -54.69 -34.71 62.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.199 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.86 -33.25 68.47 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.546 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -103.61 137.17 42.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.568 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.481 ' OG ' ' CG ' ' A' ' 40' ' ' GLU . 32.9 t -107.45 141.87 38.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.899 0.38 . . . . 0.0 110.572 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.72 -36.93 80.08 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 42.1 tp -61.22 -42.11 98.04 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.095 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.63 -42.24 91.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.599 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.1 m -63.23 -42.86 99.29 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.085 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.52 -39.86 85.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.056 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.602 ' CG ' HG23 ' A' ' 82' ' ' THR . 60.8 ttp -61.14 -42.0 97.76 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.02 -31.24 66.79 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.098 0.475 . . . . 0.0 110.145 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.4 m -56.31 -35.9 68.07 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.771 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.2 mt -59.5 -42.41 92.12 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 119.031 -1.068 . . . . 0.0 111.248 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.9 -46.44 88.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.207 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -61.63 -41.59 97.7 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.541 -0.464 . . . . 0.0 112.193 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.427 ' C ' ' HD1' ' B' ' 18' ' ' HIS . 16.4 m -73.06 -38.47 55.54 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.363 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.8 -46.83 88.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.696 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.92 -47.95 78.52 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.015 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.11 -51.23 56.66 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.226 -0.59 . . . . 0.0 112.094 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.632 ' CG ' HD13 ' B' ' 36' ' ' LEU . 75.5 m80 -61.43 -46.43 90.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.157 -0.617 . . . . 0.0 111.124 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.4 t -61.49 -40.65 95.32 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.353 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.82 -36.26 93.08 Favored Glycine 0 CA--C 1.521 0.431 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.583 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.54 -41.69 86.09 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.491 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -129.64 144.77 51.43 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.493 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.61 -163.73 54.76 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.46 137.29 48.12 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -61.76 -38.88 89.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.042 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -66.37 -34.17 77.36 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -124.66 147.06 48.77 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -177.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 tp -106.57 125.67 51.3 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 114.661 -1.154 . . . . 0.0 108.655 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 54.7 p -87.13 159.13 19.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.221 -0.592 . . . . 0.0 109.706 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -57.9 -39.22 77.38 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.144 -0.623 . . . . 0.0 111.156 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -59.34 -42.08 90.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 119.428 -0.909 . . . . 0.0 109.838 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.491 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 98.0 mt-10 -65.65 -38.6 89.81 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.08 0.467 . . . . 0.0 109.782 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 39.0 tp -62.88 -42.2 99.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.573 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.1 -43.17 99.29 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.505 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.63 -40.06 94.81 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.782 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.632 HD13 ' CG ' ' B' ' 18' ' ' HIS . 30.3 tp -62.83 -47.96 81.12 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.049 -0.66 . . . . 0.0 110.98 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.641 HD13 ' CD1' ' B' ' 81' ' ' LEU . 60.4 mt -68.43 -36.87 79.69 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.868 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.53 -44.65 95.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.545 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 56.0 m -80.63 -53.71 6.3 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.599 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 49.6 mp0 -76.43 -27.56 56.29 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 -177.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.713 ' CD1' ' H ' ' B' ' 43' ' ' GLY . 0.4 OUTLIER -88.84 125.47 34.93 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.648 -177.01 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.584 ' O ' ' N ' ' B' ' 44' ' ' PHE . 23.9 m -55.75 -32.67 63.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.813 -179.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.713 ' H ' ' CD1' ' B' ' 41' ' ' LEU . . . -45.27 -13.12 0.04 OUTLIER Glycine 0 CA--C 1.52 0.366 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.584 ' N ' ' O ' ' B' ' 42' ' ' SER . 78.6 t80 -50.16 -42.92 51.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.95 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.2 mt -61.67 -36.9 82.18 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.57 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.481 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 58.9 t0 -104.67 13.76 30.95 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.817 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.917 ' HB1' ' CG2' ' B' ' 51' ' ' VAL . . . -58.43 -41.29 84.72 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.576 -177.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.594 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.9 mt-30 28.48 -158.95 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.645 0.736 . . . . 0.0 112.271 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -58.18 -22.17 50.5 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.847 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -51.68 -32.62 30.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.167 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.917 ' CG2' ' HB1' ' B' ' 47' ' ' ALA . 48.2 t -52.07 -38.92 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.346 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -54.76 -35.66 64.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.43 . . . . 0.0 110.634 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.07 -27.7 61.95 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.158 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.644 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.0 p -52.13 -37.06 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.246 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -66.03 -43.32 87.93 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.114 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -62.55 -41.3 98.81 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 19.9 m -73.09 -29.58 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.319 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 21.8 ttt -54.82 -39.62 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.043 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -59.91 -42.52 94.05 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.257 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.39 -41.2 93.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.604 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 74.7 mt -66.97 -38.33 85.88 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.539 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 53.1 t0 -89.58 108.09 19.46 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.68 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.51 -34.73 77.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.248 0.547 . . . . 0.0 110.02 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -58.39 -39.35 79.42 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.359 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.31 6.81 84.29 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 108.264 -1.934 . . . . 0.0 108.264 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.648 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 48.7 p30 -63.3 -33.23 75.06 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.365 -0.917 . . . . 0.0 112.896 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.648 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.74 -3.7 63.05 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -178.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.435 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 95.9 mt-10 -114.77 155.57 26.46 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 12.2 m -125.1 153.54 32.46 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-O 121.692 0.758 . . . . 0.0 111.963 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.43 ' OD1' ' C ' ' B' ' 70' ' ' ASP . 50.6 p30 -117.57 177.48 4.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.419 -1.264 . . . . 0.0 108.471 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -54.05 -42.73 69.54 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.746 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.457 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.9 tt0 -59.62 -43.18 93.89 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 120.242 -0.583 . . . . 0.0 112.009 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -69.51 -37.61 77.23 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.906 -0.717 . . . . 0.0 110.71 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.424 ' O ' HG13 ' B' ' 78' ' ' VAL . 71.4 t80 -62.26 -45.91 91.18 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.457 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.6 p -60.85 -39.78 83.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.099 -0.641 . . . . 0.0 111.399 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 m -76.52 -34.22 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.345 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.427 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.5 tt -61.73 -41.93 98.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.829 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.424 HG13 ' O ' ' B' ' 74' ' ' TYR . 13.1 m -73.07 -33.03 41.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 C-N-CA 119.787 -0.765 . . . . 0.0 110.392 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.25 87.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.048 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.0 96.26 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.872 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.641 ' CD1' HD13 ' B' ' 37' ' ' LEU . 68.2 mt -64.27 -36.63 84.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.189 179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.595 HG23 ' CG ' ' A' ' 8' ' ' MET . 62.0 m -52.92 -37.66 61.04 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.494 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.9 -35.67 62.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.638 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.64 90.82 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.192 -0.603 . . . . 0.0 111.062 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.1 ttp -60.31 -39.04 85.59 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.996 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -58.33 -42.3 86.5 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.483 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -61.07 -41.58 96.9 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.345 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.75 -41.63 95.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.236 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.8 -39.75 65.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.974 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.69 -34.66 62.64 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.278 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.86 -33.32 68.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.535 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -103.58 137.11 42.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.505 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.583 179.94 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.595 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.444 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 57.1 p -69.79 161.63 29.44 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.521 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.18 -38.65 77.09 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.839 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp -61.95 -41.63 98.2 Favored 'General case' 0 C--O 1.243 0.725 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.58 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.01 -40.81 96.94 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.431 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.8 m -64.57 -40.16 95.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.722 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.25 93.29 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.491 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.483 ' HB2' HG23 ' B' ' 82' ' ' THR . 13.4 ptp -62.4 -39.75 94.27 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 119.222 -0.991 . . . . 0.0 111.046 -179.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.586 ' OE1' HD12 ' A' ' 12' ' ' ILE . 76.5 mm-40 -57.02 -31.61 65.3 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.095 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.6 m -55.77 -38.13 69.45 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.196 -0.601 . . . . 0.0 109.886 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.01 -40.34 97.48 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.57 -0.852 . . . . 0.0 110.373 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.586 HD12 ' OE1' ' A' ' 9' ' ' GLU . 76.6 mt -64.17 -46.15 94.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.375 -179.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -60.78 -41.55 95.78 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.39 -0.524 . . . . 0.0 112.001 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -72.43 -39.02 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.332 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -61.32 -47.05 87.7 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 119.663 -0.815 . . . . 0.0 109.641 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.566 ' CE1' ' CG2' ' A' ' 12' ' ' ILE . 62.7 m170 -61.6 -45.68 93.05 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.914 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.3 -50.38 65.92 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 119.823 -0.751 . . . . 0.0 111.986 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.594 ' CD2' HD13 ' A' ' 36' ' ' LEU . 92.4 m-70 -62.54 -46.54 87.93 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.141 -0.624 . . . . 0.0 111.541 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t -61.35 -41.99 97.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.015 0.436 . . . . 0.0 111.359 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.467 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . . . -63.58 -39.57 97.75 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.46 -0.791 . . . . 0.0 113.596 -178.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -59.99 -43.4 95.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.439 ' O ' ' CD ' ' A' ' 32' ' ' GLU . 94.9 mt-10 -131.91 150.79 52.05 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.722 -179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.04 -165.84 53.65 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.78 137.16 49.35 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 20' ' ' GLY . 68.3 mmtt -61.14 -39.44 90.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.096 0.474 . . . . 0.0 110.326 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -67.5 -34.8 77.87 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.566 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 34.2 mtpt -123.0 153.17 40.15 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.582 0.706 . . . . 0.0 112.896 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.3 tp -98.47 125.48 43.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.1 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.3 p -83.53 156.45 22.8 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.961 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -59.19 -36.91 76.19 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 119.128 -1.029 . . . . 0.0 109.806 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -55.65 -41.94 74.32 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 119.297 -0.961 . . . . 0.0 108.588 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' CD ' ' O ' ' A' ' 22' ' ' GLU . 48.7 mt-10 -67.74 -38.57 83.7 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.065 177.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.7 tp -64.43 -46.71 82.02 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -60.42 -44.02 96.16 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.963 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.39 -38.86 91.23 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.214 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.594 HD13 ' CD2' ' A' ' 18' ' ' HIS . 36.1 tp -64.43 -43.78 93.27 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.425 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.44 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -68.25 -42.8 79.11 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.586 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.463 ' NE2' HG11 ' A' ' 51' ' ' VAL . 94.5 mt-30 -64.84 -42.23 95.07 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.647 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.47 -42.77 74.41 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.2 mm-40 -75.09 -33.82 61.69 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.604 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -95.76 142.84 27.56 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -178.352 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.591 ' O ' ' N ' ' A' ' 44' ' ' PHE . 24.8 m -55.66 -28.92 58.11 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.027 177.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -44.75 -10.23 0.01 OUTLIER Glycine 0 CA--C 1.522 0.505 0 CA-C-N 114.625 -1.17 . . . . 0.0 110.419 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.591 ' N ' ' O ' ' A' ' 42' ' ' SER . 65.5 t80 -49.32 -41.04 37.33 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.5 tp -58.41 -36.42 73.55 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 43' ' ' GLY . 89.1 m-20 -86.65 13.25 8.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.195 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.529 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -59.76 -11.75 5.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.396 -178.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.633 ' O ' HG22 ' A' ' 51' ' ' VAL . 93.9 mt-30 -51.44 -156.94 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.261 0.553 . . . . 0.0 111.636 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -54.16 -21.08 7.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.555 -178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.71 -34.19 58.02 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.504 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 48' ' ' GLN . 24.0 m -58.14 -14.0 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.812 -179.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -55.55 -36.06 66.38 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' ' 57' ' ' VAL . . . -56.91 -28.63 62.23 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.189 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.574 ' O ' HG22 ' A' ' 57' ' ' VAL . 71.4 t -56.68 -39.35 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.59 -41.03 93.87 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.114 -1.034 . . . . 0.0 109.701 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -63.27 -38.78 92.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.822 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 54' ' ' VAL . 2.5 m -70.51 -31.3 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 120.214 -0.594 . . . . 0.0 112.256 -177.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.11 -36.37 72.81 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.41 -40.02 85.32 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.888 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -67.02 -41.24 86.97 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.655 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.702 ' CD1' HD12 ' A' ' 77' ' ' LEU . 71.6 mt -68.21 -36.63 79.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.824 0.345 . . . . 0.0 111.37 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.495 ' OD1' ' OE1' ' A' ' 73' ' ' GLU . 97.5 m-20 -98.6 71.24 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.141 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.28 -29.02 69.6 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -53.68 -36.48 62.21 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 114.123 -1.399 . . . . 0.0 110.089 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.55 3.69 74.38 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 108.441 -1.864 . . . . 0.0 108.441 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.694 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 50.9 p30 -62.57 -35.78 80.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.316 -0.942 . . . . 0.0 113.03 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.694 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 86.83 0.75 85.63 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 108.562 -1.815 . . . . 0.0 108.562 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.566 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 95.9 mt-10 -116.64 157.97 24.51 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 114.44 -0.88 . . . . 0.0 109.098 179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.45 150.41 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.647 0.737 . . . . 0.0 111.449 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -102.88 161.85 13.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.415 -1.266 . . . . 0.0 109.048 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -51.51 -40.05 58.84 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.662 -0.815 . . . . 0.0 109.16 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.464 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.2 tt0 -57.6 -41.59 81.52 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.824 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.495 ' OE1' ' OD1' ' A' ' 62' ' ' ASP . 93.1 mt-10 -68.27 -39.82 82.04 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.536 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -63.36 -44.48 94.68 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 72' ' ' GLN . 2.7 p -59.68 -39.14 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.808 -0.757 . . . . 0.0 110.509 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 73' ' ' GLU . 31.6 m -75.97 -33.24 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 C-N-CA 120.055 -0.658 . . . . 0.0 109.91 178.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.702 HD12 ' CD1' ' A' ' 61' ' ' LEU . 7.8 tt -59.73 -42.82 93.98 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.736 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.8 m -73.41 -32.65 37.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.401 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.39 92.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.485 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.11 -43.0 93.44 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.307 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 65.0 mt -64.7 -36.28 83.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.718 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.481 HG23 ' HB2' ' B' ' 8' ' ' MET . 50.5 m -53.31 -37.69 62.48 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.484 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.91 -35.88 63.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.237 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.77 80.7 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.257 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.4 tpt -59.12 -38.41 79.53 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -58.32 -44.38 88.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.017 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.76 -41.75 99.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.288 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.74 -42.08 96.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.044 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -53.58 -39.19 64.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.994 -178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -54.41 -34.74 61.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.595 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.32 -32.67 72.54 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.63 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.85 136.99 42.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.5 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.1 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.559 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.682 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.499 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 57.4 p -69.73 161.62 29.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.725 0.298 . . . . 0.0 110.588 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.26 -38.73 77.5 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.746 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.85 -41.7 98.14 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.573 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.96 -40.88 97.1 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.413 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.6 m -64.53 -40.2 95.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.683 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.85 -43.25 93.64 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.571 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.481 ' HB2' HG23 ' A' ' 82' ' ' THR . 13.4 ptp -62.54 -39.64 94.24 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 119.278 -0.969 . . . . 0.0 110.96 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.579 ' OE1' HD12 ' B' ' 12' ' ' ILE . 76.6 mm-40 -57.08 -31.69 65.5 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.1 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.8 m -55.59 -38.29 69.22 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.194 -0.603 . . . . 0.0 109.926 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.7 mt -62.93 -40.31 97.23 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.44 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.579 HD12 ' OE1' ' B' ' 9' ' ' GLU . 76.6 mt -64.13 -46.16 94.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.362 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -60.7 -41.72 95.75 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.442 -0.503 . . . . 0.0 112.007 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 30.2 m -72.31 -39.11 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.338 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.22 -47.1 87.68 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.642 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.571 ' CE1' ' CG2' ' B' ' 12' ' ' ILE . 62.5 m170 -61.66 -45.66 93.06 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.897 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.2 -50.44 65.9 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 119.892 -0.723 . . . . 0.0 111.968 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.581 ' CD2' HD13 ' B' ' 36' ' ' LEU . 92.4 m-70 -62.64 -46.44 88.21 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.553 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.0 t -61.43 -41.94 97.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.007 0.432 . . . . 0.0 111.322 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.62 -39.53 97.67 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 115.475 -0.784 . . . . 0.0 113.602 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -60.01 -43.39 95.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -177.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.445 ' O ' ' CD ' ' B' ' 32' ' ' GLU . 94.9 mt-10 -131.89 150.71 52.07 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.753 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.09 -165.86 53.59 Favored Glycine 0 CA--C 1.518 0.263 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.8 137.16 49.3 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -61.12 -39.49 90.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.015 0.436 . . . . 0.0 110.233 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -67.38 -34.91 78.26 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.559 ' NZ ' ' OE1' ' B' ' 68' ' ' GLU . 34.2 mtpt -122.9 153.15 40.06 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.9 tp -98.41 125.57 43.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.095 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 57.0 p -83.6 156.47 22.71 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.325 -0.55 . . . . 0.0 109.874 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -59.24 -36.93 76.35 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 119.074 -1.051 . . . . 0.0 109.787 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -55.59 -42.0 74.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 119.282 -0.967 . . . . 0.0 108.534 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.445 ' CD ' ' O ' ' B' ' 22' ' ' GLU . 48.8 mt-10 -67.67 -38.68 84.07 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.002 177.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 31.8 tp -64.31 -46.71 82.38 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -60.4 -44.13 95.98 Favored 'General case' 0 N--CA 1.436 -1.171 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.915 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.38 -38.93 91.5 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.177 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.581 HD13 ' CD2' ' B' ' 18' ' ' HIS . 36.1 tp -64.29 -43.89 93.38 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 120.078 -0.649 . . . . 0.0 111.433 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.5 OUTLIER -68.14 -42.83 79.53 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.577 179.799 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.458 ' NE2' HG11 ' B' ' 51' ' ' VAL . 94.5 mt-30 -64.92 -42.1 94.99 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.49 -0.884 . . . . 0.0 111.622 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.55 -42.71 74.21 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.444 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 77.2 mm-40 -75.18 -33.76 61.49 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.616 ' N ' ' CD2' ' B' ' 41' ' ' LEU . 0.5 OUTLIER -95.88 142.83 27.66 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.957 0.885 . . . . 0.0 113.265 -178.292 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.591 ' O ' ' N ' ' B' ' 44' ' ' PHE . 25.1 m -55.65 -28.88 57.86 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.024 177.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' B' ' 46' ' ' ASP . . . -44.7 -10.22 0.01 OUTLIER Glycine 0 CA--C 1.522 0.471 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.442 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.591 ' N ' ' O ' ' B' ' 42' ' ' SER . 65.7 t80 -49.39 -41.01 38.1 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.39 -36.52 73.66 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' B' ' 43' ' ' GLY . 88.9 m-20 -86.56 13.18 8.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.243 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.541 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -59.7 -11.77 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.326 -178.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.635 ' O ' HG22 ' B' ' 51' ' ' VAL . 94.0 mt-30 -51.48 -156.95 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.292 0.567 . . . . 0.0 111.628 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -54.04 -21.22 7.83 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.481 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -53.67 -34.2 57.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.809 0.338 . . . . 0.0 110.534 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.635 HG22 ' O ' ' B' ' 48' ' ' GLN . 23.7 m -58.12 -14.02 3.32 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.774 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.61 -36.08 66.56 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.554 ' O ' HG13 ' B' ' 57' ' ' VAL . . . -56.89 -28.6 62.08 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.195 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.574 ' O ' HG22 ' B' ' 57' ' ' VAL . 71.2 t -56.64 -39.43 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.64 -40.94 93.83 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 119.078 -1.049 . . . . 0.0 109.618 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -63.26 -38.84 92.74 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.78 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.574 HG22 ' O ' ' B' ' 54' ' ' VAL . 2.5 m -70.44 -31.41 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 120.203 -0.599 . . . . 0.0 112.215 -177.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.04 -36.39 72.68 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.33 -40.08 85.19 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.969 -178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.91 -41.31 87.31 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.013 -0.675 . . . . 0.0 111.685 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.719 ' CD1' HD12 ' B' ' 77' ' ' LEU . 71.5 mt -68.2 -36.58 79.76 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.85 0.357 . . . . 0.0 111.399 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.488 ' OD1' ' OE1' ' B' ' 73' ' ' GLU . 97.4 m-20 -98.61 71.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.114 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.25 -29.12 69.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 177.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -53.54 -36.57 61.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.106 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.54 3.75 74.33 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.694 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 50.9 p30 -62.44 -35.82 80.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.417 -0.891 . . . . 0.0 113.057 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.694 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 86.73 0.81 85.77 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 108.58 -1.808 . . . . 0.0 108.58 -178.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.559 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 95.9 mt-10 -116.72 157.98 24.58 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 114.408 -0.896 . . . . 0.0 109.163 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 11.4 m -124.39 150.4 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.627 0.727 . . . . 0.0 111.474 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -102.95 161.75 13.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.519 -1.219 . . . . 0.0 108.99 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -51.49 -40.06 58.79 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.148 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.461 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.2 tt0 -57.58 -41.54 81.35 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.904 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.488 ' OE1' ' OD1' ' B' ' 62' ' ' ASP . 93.1 mt-10 -68.33 -39.83 81.83 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.475 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -63.26 -44.51 94.93 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.461 HG12 ' O ' ' B' ' 72' ' ' GLN . 2.7 p -59.6 -39.26 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.551 -178.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.473 HG22 ' O ' ' B' ' 73' ' ' GLU . 31.5 m -75.81 -33.36 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 120.159 -0.616 . . . . 0.0 109.896 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.719 HD12 ' CD1' ' B' ' 61' ' ' LEU . 7.8 tt -59.82 -42.81 94.33 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.626 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 23.0 m -73.4 -32.58 37.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.371 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.35 92.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.426 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.17 -43.04 93.01 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.266 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.405 ' CD1' ' CD1' ' B' ' 37' ' ' LEU . 65.8 mt -64.7 -36.25 83.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.751 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 8' ' ' MET . 48.5 m -53.2 -37.8 62.31 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.602 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 71.6 t -59.82 -35.9 63.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.275 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.8 80.92 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.164 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.4 tpt -59.14 -38.27 79.28 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -58.41 -44.32 88.97 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.038 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.79 -41.72 99.38 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.322 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -60.71 -42.13 96.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.048 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -53.54 -39.12 64.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.05 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -54.49 -34.73 62.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.579 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.3 -32.71 72.57 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.655 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.85 137.02 42.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.599 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 m -63.21 157.56 22.26 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.993 0.425 . . . . 0.0 110.508 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -59.51 -37.28 77.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.171 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.494 HD21 HG11 ' B' ' 14' ' ' VAL . 45.8 mt -63.94 -39.2 93.6 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.276 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.82 -39.19 90.62 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.619 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -63.1 -43.07 99.51 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.274 178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.33 -37.34 83.15 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.223 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.714 ' CG ' HG23 ' B' ' 82' ' ' THR . 45.0 ttm -58.42 -42.82 88.1 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.765 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.29 -31.78 65.96 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.11 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.459 HG22 HD23 ' B' ' 4' ' ' LEU . 30.8 m -56.94 -36.91 70.8 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 14' ' ' VAL . 37.5 mt -63.3 -41.03 98.93 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 118.738 -1.185 . . . . 0.0 110.49 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.534 HD12 ' HE1' ' B' ' 85' ' ' MET . 75.9 mt -64.69 -38.34 82.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.769 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -58.38 -43.39 88.45 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 119.819 -0.753 . . . . 0.0 111.06 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 11' ' ' LEU . 20.7 m -74.66 -39.03 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.169 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.435 ' O ' ' OG ' ' A' ' 19' ' ' SER . 68.2 t80 -62.19 -47.49 84.27 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.792 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -63.19 -48.7 77.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.953 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.34 -51.14 60.29 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.829 -179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.473 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 77.2 m80 -63.08 -46.89 85.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.32 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.523 ' N ' ' OE2' ' A' ' 32' ' ' GLU . 29.3 m -60.97 -40.18 92.42 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.477 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.87 -47.11 68.31 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 120.504 -0.855 . . . . 0.0 112.776 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.09 -44.63 96.24 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -132.78 144.56 50.33 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.873 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.524 ' O ' ' O ' ' A' ' 27' ' ' LYS . . . 73.95 19.53 79.76 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 121.232 -0.509 . . . . 0.0 112.237 177.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.478 ' O ' ' O ' ' A' ' 23' ' ' GLY . 89.4 m-20 59.91 138.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 117.253 0.526 . . . . 0.0 109.949 -179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -58.46 -38.46 77.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.912 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -62.62 -35.03 78.25 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -177.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.524 ' O ' ' O ' ' A' ' 23' ' ' GLY . 97.7 mttt -125.39 147.43 49.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.145 0.498 . . . . 0.0 111.729 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tt -107.31 131.71 53.92 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -103.92 151.8 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.596 ' HZ2' ' CG ' ' A' ' 55' ' ' ASP . 66.0 tttt -56.64 -37.31 70.59 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.339 -0.944 . . . . 0.0 110.565 -178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -55.92 -40.95 73.84 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 118.324 -1.35 . . . . 0.0 107.945 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.523 ' OE2' ' N ' ' A' ' 19' ' ' SER . 81.0 tt0 -66.14 -40.93 90.99 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.732 177.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 33.9 tp -67.19 -47.96 69.35 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -60.63 -45.89 92.35 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.763 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.78 -37.94 87.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.157 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.473 HD12 ' CG ' ' A' ' 18' ' ' HIS . 9.1 tt -64.24 -43.97 93.24 Favored 'General case' 0 CA--C 1.522 -0.113 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.661 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -67.84 -39.61 83.83 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.158 178.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.68 -44.98 95.92 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.096 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.2 m -70.8 -42.02 70.84 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.442 ' CG ' HD12 ' B' ' 4' ' ' LEU . 78.5 mm-40 -74.09 -33.46 63.64 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -177.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 81' ' ' LEU . 69.5 mt -97.17 148.13 23.38 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -178.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.582 ' O ' ' N ' ' A' ' 44' ' ' PHE . 24.6 m -55.13 -29.73 58.31 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 113.985 -1.461 . . . . 0.0 108.602 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -45.36 -10.46 0.02 OUTLIER Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.321 -1.111 . . . . 0.0 110.321 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 42' ' ' SER . 55.5 t80 -50.08 -43.92 51.6 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.4 tp -62.09 -36.56 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.431 0.634 . . . . 0.0 109.571 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.66 ' C ' ' H ' ' A' ' 48' ' ' GLN . 89.1 m-20 -87.89 11.43 15.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.56 -179.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.416 ' HA ' HG11 ' A' ' 51' ' ' VAL . . . -56.61 19.87 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.66 ' H ' ' C ' ' A' ' 46' ' ' ASP . 93.2 mt-30 -62.84 158.31 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 56.1 pttt -40.74 -16.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.667 -178.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.586 ' N ' ' O ' ' A' ' 48' ' ' GLN . 92.3 m-20 -54.86 -34.56 63.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.183 0.516 . . . . 0.0 110.367 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 54' ' ' VAL . 20.9 m -57.05 -11.79 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.356 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 49' ' ' LYS . 92.2 m-20 -55.7 -34.62 65.25 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.49 -27.35 62.46 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 121.583 0.706 . . . . 0.0 109.974 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.0 p -52.36 -35.96 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.596 ' CG ' ' HZ2' ' A' ' 30' ' ' LYS . 55.9 t0 -60.11 -42.37 94.58 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.41 178.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -63.92 -38.69 92.02 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.601 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 54' ' ' VAL . 2.1 m -69.48 -31.12 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 119.927 -0.709 . . . . 0.0 112.508 -177.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 94.8 mmm -55.79 -37.5 68.68 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.613 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -59.66 -42.4 92.74 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.15 -40.86 86.77 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.446 ' N ' HD12 ' A' ' 61' ' ' LEU . 6.7 mp -68.56 -39.95 80.82 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 120.102 -0.639 . . . . 0.0 112.119 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 60.7 t0 -89.85 112.43 23.77 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.677 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.11 -33.43 76.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -57.17 -38.15 73.16 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.564 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.46 20.76 79.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.582 ' C ' ' H ' ' A' ' 68' ' ' GLU . 44.6 p30 -88.69 3.63 50.06 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.04 -7.02 0.21 Allowed Glycine 0 CA--C 1.529 0.913 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.582 ' H ' ' C ' ' A' ' 66' ' ' ASP . 84.4 tt0 -108.21 145.25 34.51 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.8 m -124.16 150.1 28.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 CA-C-O 121.973 0.892 . . . . 0.0 112.267 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -104.01 164.79 11.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 113.895 -1.502 . . . . 0.0 109.027 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -51.42 -41.29 60.67 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.94 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.494 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.5 tt0 -58.94 -42.12 89.01 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 119.871 -0.732 . . . . 0.0 111.012 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.444 ' O ' HG22 ' A' ' 76' ' ' VAL . 92.9 mt-10 -68.58 -38.3 80.58 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.206 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -62.52 -44.67 95.78 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.7 p -59.77 -39.31 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.667 -178.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.2 m -76.13 -32.02 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 120.103 -0.639 . . . . 0.0 109.522 178.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.423 ' C ' HD23 ' A' ' 77' ' ' LEU . 10.1 tt -59.77 -42.47 93.39 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.752 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 75' ' ' VAL . 21.3 m -73.24 -33.04 40.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.798 179.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.86 86.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.149 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.88 95.86 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.071 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.426 HD13 HD11 ' A' ' 41' ' ' LEU . 64.0 mt -64.72 -36.44 84.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.225 179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.69 HG23 ' CG ' ' B' ' 8' ' ' MET . 73.7 m -52.89 -37.72 60.86 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.539 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.572 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 78.0 t -59.25 -36.43 63.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.459 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.79 -31.61 72.62 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.53 ' HE1' HD12 ' B' ' 12' ' ' ILE . 4.6 ttp -57.42 -38.44 74.34 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.58 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.726 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 32.0 p-10 -60.18 -42.42 94.98 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 119.279 -0.969 . . . . 0.0 109.712 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.726 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 93.6 m-20 -63.58 -38.47 91.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.765 178.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -60.12 -40.86 91.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.183 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.22 -38.92 63.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.973 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.27 -34.83 61.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.584 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.17 -32.38 72.11 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.641 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -99.58 120.23 39.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.447 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.569 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 31.5 m -63.28 157.56 22.51 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.904 0.383 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -59.41 -37.48 78.14 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.146 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.477 HD21 HG11 ' A' ' 14' ' ' VAL . 45.4 mt -63.81 -39.25 93.79 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.286 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.76 -39.37 90.97 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.522 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.8 m -62.97 -43.12 99.66 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.299 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.54 -36.61 81.31 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.196 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.69 ' CG ' HG23 ' A' ' 82' ' ' THR . 45.1 ttm -59.03 -42.83 91.14 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.677 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.18 -31.88 65.88 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.14 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.45 HG22 HD23 ' A' ' 4' ' ' LEU . 30.5 m -56.88 -36.89 70.62 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.959 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.474 ' O ' HG22 ' B' ' 14' ' ' VAL . 37.5 mt -63.44 -40.84 98.23 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 118.702 -1.199 . . . . 0.0 110.475 -178.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.53 HD12 ' HE1' ' A' ' 85' ' ' MET . 75.9 mt -64.76 -38.29 82.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.76 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -58.45 -43.41 88.82 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.84 -0.744 . . . . 0.0 111.003 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.494 HG11 HD21 ' A' ' 4' ' ' LEU . 20.9 m -74.6 -39.01 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 119.9 -0.72 . . . . 0.0 111.153 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.447 ' O ' ' OG ' ' B' ' 19' ' ' SER . 68.4 t80 -62.25 -47.4 84.55 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 119.652 -0.819 . . . . 0.0 109.843 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -63.24 -48.69 77.16 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.992 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.29 -51.15 60.29 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 120.069 -0.652 . . . . 0.0 111.873 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.474 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 77.2 m80 -63.0 -46.9 85.47 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.424 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.52 ' N ' ' OE2' ' B' ' 32' ' ' GLU . 28.5 m -60.94 -40.22 92.44 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.561 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.93 -47.08 67.96 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.728 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.02 -44.72 96.12 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.643 0.608 . . . . 0.0 112.643 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -132.8 144.52 50.29 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.817 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.527 ' O ' ' O ' ' B' ' 27' ' ' LYS . . . 73.99 19.47 79.77 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.209 177.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' B' ' 23' ' ' GLY . 89.6 m-20 59.96 138.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.965 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -58.45 -38.41 77.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.902 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -62.71 -34.97 78.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -177.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.527 ' O ' ' O ' ' B' ' 23' ' ' GLY . 97.7 mttt -125.47 147.45 49.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.091 0.472 . . . . 0.0 111.825 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 tt -107.31 131.65 53.99 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -103.84 151.79 22.68 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.552 ' HZ2' ' CG ' ' B' ' 55' ' ' ASP . 66.0 tttt -56.75 -37.23 70.75 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 119.377 -0.929 . . . . 0.0 110.554 -178.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -55.83 -41.03 73.66 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 118.328 -1.349 . . . . 0.0 107.996 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.52 ' OE2' ' N ' ' B' ' 19' ' ' SER . 81.1 tt0 -66.14 -40.89 90.94 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.787 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 33.8 tp -67.17 -47.98 69.34 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -60.62 -45.87 92.39 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.741 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -65.84 -37.9 87.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.155 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.473 HD12 ' CG ' ' B' ' 18' ' ' HIS . 9.2 tt -64.33 -43.85 93.37 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 120.079 -0.649 . . . . 0.0 110.62 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.433 ' N ' ' CD2' ' B' ' 37' ' ' LEU . 0.5 OUTLIER -67.95 -39.64 83.4 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.081 178.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.65 -44.98 95.96 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.054 -0.658 . . . . 0.0 111.07 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -70.8 -42.11 70.73 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.441 ' CG ' HD12 ' A' ' 4' ' ' LEU . 78.6 mm-40 -73.98 -33.59 63.9 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -177.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.429 HD11 HD13 ' B' ' 81' ' ' LEU . 69.4 mt -97.17 148.07 23.44 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.585 ' O ' ' N ' ' B' ' 44' ' ' PHE . 24.7 m -55.09 -29.76 58.26 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 113.902 -1.499 . . . . 0.0 108.641 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -45.22 -10.48 0.02 OUTLIER Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.585 ' N ' ' O ' ' B' ' 42' ' ' SER . 55.7 t80 -50.12 -43.9 52.05 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.5 tp -62.05 -36.62 82.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.405 0.622 . . . . 0.0 109.618 177.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.65 ' C ' ' H ' ' B' ' 48' ' ' GLN . 88.8 m-20 -87.74 11.34 15.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.556 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.412 ' HA ' HG11 ' B' ' 51' ' ' VAL . . . -56.6 19.75 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.65 ' H ' ' C ' ' B' ' 46' ' ' ASP . 93.2 mt-30 -62.7 158.22 19.04 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 56.2 pttt -40.82 -15.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.67 -178.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' B' ' 48' ' ' GLN . 92.2 m-20 -54.9 -34.65 63.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.142 0.496 . . . . 0.0 110.297 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.667 ' O ' HG12 ' B' ' 54' ' ' VAL . 20.7 m -56.87 -11.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.402 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' B' ' 49' ' ' LYS . 92.3 m-20 -55.62 -34.67 65.11 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.404 ' O ' HG13 ' B' ' 57' ' ' VAL . . . -57.4 -27.49 62.4 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 121.586 0.707 . . . . 0.0 109.912 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.667 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.0 p -52.24 -36.05 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.552 ' CG ' ' HZ2' ' B' ' 30' ' ' LYS . 55.9 t0 -60.03 -42.49 94.49 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 119.334 -0.946 . . . . 0.0 109.35 178.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -63.85 -38.73 92.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.553 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.558 HG22 ' O ' ' B' ' 54' ' ' VAL . 2.1 m -69.45 -31.15 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 120.006 -0.678 . . . . 0.0 112.48 -177.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.8 mmm -55.88 -37.4 68.76 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.652 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -59.71 -42.36 92.86 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.11 -40.82 86.92 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.439 HD12 ' N ' ' B' ' 61' ' ' LEU . 6.7 mp -68.73 -39.85 80.18 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.07 -0.652 . . . . 0.0 112.063 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.54 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 60.8 t0 -89.99 112.4 23.79 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 119.893 -0.723 . . . . 0.0 111.641 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.04 -33.46 76.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -57.14 -38.19 73.14 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.531 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.54 20.67 79.49 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.603 ' C ' ' H ' ' B' ' 68' ' ' GLU . 44.8 p30 -88.79 3.68 50.19 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.03 -6.97 0.21 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.603 ' H ' ' C ' ' B' ' 66' ' ' ASP . 84.4 tt0 -108.24 145.31 34.49 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 25.5 m -124.12 150.07 28.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 CA-C-O 121.968 0.89 . . . . 0.0 112.27 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -104.03 164.84 11.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 113.847 -1.524 . . . . 0.0 109.014 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -51.45 -41.28 60.74 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.863 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.481 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.5 tt0 -58.9 -42.22 89.06 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 119.978 -0.689 . . . . 0.0 111.016 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.438 ' O ' HG22 ' B' ' 76' ' ' VAL . 92.9 mt-10 -68.58 -38.26 80.55 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 119.816 -0.753 . . . . 0.0 110.206 178.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -62.51 -44.65 95.84 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.481 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.6 p -59.84 -39.27 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.65 -178.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.438 HG22 ' O ' ' B' ' 73' ' ' GLU . 33.1 m -76.02 -32.09 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.513 178.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.427 HD23 ' C ' ' B' ' 77' ' ' LEU . 10.1 tt -59.86 -42.36 93.5 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.739 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.415 HG22 ' O ' ' B' ' 75' ' ' VAL . 21.7 m -73.3 -33.01 39.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.709 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.79 86.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.091 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.47 -42.83 95.69 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.032 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.429 HD13 HD11 ' B' ' 41' ' ' LEU . 63.9 mt -64.79 -36.42 84.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.175 179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.714 HG23 ' CG ' ' A' ' 8' ' ' MET . 75.1 m -52.82 -37.82 60.5 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.533 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.568 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 76.7 t -59.1 -36.55 63.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.458 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.78 -31.54 72.53 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.534 ' HE1' HD12 ' A' ' 12' ' ' ILE . 4.7 ttp -57.59 -38.4 74.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 119.998 -0.681 . . . . 0.0 111.476 -178.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.721 ' OD1' ' N ' ' B' ' 87' ' ' ASN . 32.1 p-10 -60.21 -42.36 94.98 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 119.184 -1.007 . . . . 0.0 109.716 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.721 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 93.6 m-20 -63.61 -38.43 91.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.714 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -60.17 -40.79 91.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.146 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -53.26 -38.94 63.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.305 -0.862 . . . . 0.0 109.999 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.25 -34.88 61.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.531 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.14 -32.45 72.16 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.552 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -99.51 120.28 39.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.42 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.56 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.614 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' B' ' 40' ' ' GLU . 53.2 p -69.56 161.37 29.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.658 0.266 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -61.91 -37.72 85.68 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.771 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.7 tp -61.41 -43.13 99.41 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.035 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.39 -42.31 88.07 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.048 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.6 m -61.61 -42.8 99.39 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.826 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -67.09 -41.53 86.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.927 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.528 ' CG ' HG23 ' B' ' 82' ' ' THR . 63.0 ttp -63.19 -44.6 94.92 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.34 -31.52 67.66 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.098 0.475 . . . . 0.0 110.15 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.443 HG21 ' HB2' ' B' ' 7' ' ' ALA . 37.4 m -56.3 -36.23 68.42 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.821 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.7 mt -61.11 -42.63 98.88 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.721 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.9 mt -66.13 -44.34 91.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.001 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -61.28 -41.52 97.08 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.413 -0.515 . . . . 0.0 112.035 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.2 m -73.95 -38.76 50.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.567 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.56 ' CE1' HD22 ' A' ' 28' ' ' LEU . 65.3 t80 -63.25 -49.47 74.01 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.422 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.47 -46.87 84.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.196 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.66 87.44 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 120.059 -0.657 . . . . 0.0 111.515 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.609 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 85.7 t60 -64.22 -47.45 79.63 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.581 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.5 p -63.39 -35.68 81.19 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.033 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.55 -40.22 94.15 Favored Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.336 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -59.92 -41.99 92.95 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.541 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -127.67 151.5 48.88 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.928 -179.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.08 -162.73 42.58 Favored Glycine 0 C--N 1.332 0.355 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -71.47 136.93 47.83 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -61.3 -39.56 90.92 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.432 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -68.01 -33.81 75.32 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -115.68 146.68 41.63 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 15' ' ' PHE . 17.5 tp -107.18 131.78 53.78 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.02 178.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -104.62 151.84 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.77 -37.93 71.78 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.709 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -55.19 -40.7 71.02 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 118.86 -1.136 . . . . 0.0 108.006 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.609 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 96.5 mt-10 -67.67 -38.76 84.19 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.521 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.77 -46.28 85.98 Favored 'General case' 0 C--N 1.345 0.373 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -59.73 -43.99 93.96 Favored 'General case' 0 N--CA 1.433 -1.288 0 C-N-CA 119.423 -0.911 . . . . 0.0 110.635 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -64.06 -41.13 97.48 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.446 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.54 HD13 ' CG ' ' A' ' 18' ' ' HIS . 34.5 tp -65.34 -45.14 85.38 Favored 'General case' 0 CA--C 1.527 0.065 0 C-N-CA 119.906 -0.718 . . . . 0.0 112.253 -179.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -69.49 -42.73 74.39 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.823 -0.751 . . . . 0.0 112.143 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.37 -43.39 94.66 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 119.442 -0.903 . . . . 0.0 111.6 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -71.07 -42.48 69.33 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.51 -32.9 62.66 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 -177.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.599 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 22.2 tp -100.14 123.69 44.68 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 119.654 -0.818 . . . . 0.0 112.011 -177.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.494 ' C ' ' N ' ' A' ' 44' ' ' PHE . 86.2 p -62.09 -27.51 68.96 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.782 0.801 . . . . 0.0 109.122 178.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.599 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -49.1 -14.29 0.45 Allowed Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 178.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.494 ' N ' ' C ' ' A' ' 42' ' ' SER . 86.8 t80 -51.47 -41.76 61.13 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.706 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.05 -42.08 84.66 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.055 -1.058 . . . . 0.0 108.89 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -67.35 -33.04 74.4 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.026 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.595 ' O ' ' C ' ' A' ' 48' ' ' GLN . . . -58.92 -33.27 70.38 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -175.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.621 ' O ' HG12 ' A' ' 51' ' ' VAL . 94.1 mt-30 15.82 -126.84 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 118.416 0.553 . . . . 0.0 111.604 -178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -59.02 -31.62 68.99 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.078 0.466 . . . . 0.0 110.371 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 47' ' ' ALA . 92.4 m-20 -55.42 -31.13 61.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.006 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.645 ' O ' HG12 ' A' ' 54' ' ' VAL . 6.0 p -52.31 -31.88 15.43 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.039 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.523 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.74 -36.29 67.11 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.996 0.427 . . . . 0.0 110.595 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -27.32 61.02 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.919 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.0 p -51.71 -37.45 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -64.8 -41.37 95.86 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.826 -0.749 . . . . 0.0 110.172 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.73 -39.95 95.68 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 54' ' ' VAL . 12.5 m -71.31 -30.82 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 120.031 -0.668 . . . . 0.0 112.334 -177.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 95.0 mmm -57.06 -37.98 72.6 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.856 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -60.78 -44.83 96.29 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.104 -0.639 . . . . 0.0 111.688 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.81 -41.03 79.23 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.322 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -67.55 -38.03 83.57 Favored 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 120.684 -0.406 . . . . 0.0 112.08 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.542 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 45.6 t0 -88.71 108.35 19.43 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.055 -0.658 . . . . 0.0 111.52 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.15 -34.68 78.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.456 0.646 . . . . 0.0 109.267 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -58.67 -39.14 79.81 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 114.961 -1.018 . . . . 0.0 112.037 -178.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.43 8.06 85.56 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 107.896 -2.081 . . . . 0.0 107.896 -177.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.663 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 44.5 p30 -63.27 -33.82 76.33 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 114.07 -1.065 . . . . 0.0 112.995 -178.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.663 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.82 -6.02 66.93 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.51 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 59.2 mp0 -112.21 156.24 22.66 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.9 m -124.05 151.54 29.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 122.237 1.017 . . . . 0.0 113.275 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 55.9 t0 -104.3 163.27 12.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 113.369 -1.741 . . . . 0.0 108.646 178.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.494 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 74.1 t80 -51.2 -42.26 60.78 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.225 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -59.52 -41.93 91.1 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.167 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.415 ' O ' HG22 ' A' ' 76' ' ' VAL . 91.4 mt-10 -65.8 -38.41 88.89 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.876 -0.729 . . . . 0.0 110.065 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -61.78 -41.58 97.9 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.943 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.773 HG13 ' HB1' ' B' ' 79' ' ' ALA . 1.4 t -60.02 -45.02 95.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.03 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 73' ' ' GLU . 26.7 m -71.24 -34.85 55.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.986 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.78 HD13 ' C ' ' A' ' 77' ' ' LEU . 2.8 tm? -58.98 -44.79 91.62 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.047 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 m -72.83 -37.37 54.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 C-N-CA 119.682 -0.807 . . . . 0.0 111.469 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.774 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -63.46 -43.31 97.7 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.821 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.39 99.78 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.641 0.734 . . . . 0.0 110.176 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.0 -39.37 94.57 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.52 -178.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.532 HG23 ' CG ' ' B' ' 8' ' ' MET . 43.5 m -54.75 -37.14 65.6 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.492 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 70.9 t -59.13 -34.1 52.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.968 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.1 -36.77 75.71 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.29 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.1 mmm -57.99 -38.01 75.31 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.634 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -59.69 -43.8 93.9 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 119.538 -0.865 . . . . 0.0 110.303 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -64.69 -45.98 84.33 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.116 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -67.41 -36.66 81.73 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.204 0.526 . . . . 0.0 111.502 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -53.99 -39.26 65.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.052 -177.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.34 -34.67 61.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.07 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -57.56 -33.24 67.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.396 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -103.54 136.88 42.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.546 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 63.9 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.548 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.659 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -69.56 161.32 29.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.672 0.272 . . . . 0.0 110.381 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -61.92 -37.57 85.15 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.835 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 16.5 tp -61.49 -43.08 99.5 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.053 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.4 -42.35 87.99 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.073 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 41.3 m -61.52 -42.81 99.37 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.921 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.443 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -67.15 -41.39 86.11 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.968 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.532 ' CG ' HG23 ' A' ' 82' ' ' THR . 62.9 ttp -63.08 -44.81 94.72 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.3 -31.52 67.58 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.054 0.454 . . . . 0.0 110.105 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.446 HG21 ' HB2' ' A' ' 7' ' ' ALA . 36.7 m -56.23 -36.29 68.33 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.815 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.1 -42.64 98.9 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 118.532 -1.267 . . . . 0.0 110.764 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.08 -44.44 91.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.955 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -61.22 -41.56 97.07 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.436 -0.506 . . . . 0.0 112.032 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -73.87 -38.84 51.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 119.775 -0.77 . . . . 0.0 110.6 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.56 ' CE1' HD22 ' B' ' 28' ' ' LEU . 65.2 t80 -63.29 -49.38 74.24 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.359 178.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -63.59 -46.87 83.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.165 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.73 87.53 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.602 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.616 ' NE2' ' O ' ' B' ' 32' ' ' GLU . 85.7 t60 -64.17 -47.45 79.8 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.633 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 82.6 p -63.39 -35.7 81.27 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.952 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.59 -40.16 94.06 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 121.1 -0.572 . . . . 0.0 112.331 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -59.95 -41.97 93.02 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.545 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -127.68 151.52 48.85 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.921 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.11 -162.73 42.69 Favored Glycine 0 C--N 1.331 0.305 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 178.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -71.46 136.96 47.86 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -61.24 -39.64 91.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.208 0.528 . . . . 0.0 110.425 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -68.0 -33.86 75.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -178.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -115.72 146.69 41.66 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' B' ' 15' ' ' PHE . 17.6 tp -107.16 131.75 53.8 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.005 178.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -104.6 151.94 23.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -56.91 -37.91 72.09 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 118.996 -1.081 . . . . 0.0 110.697 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -55.11 -40.73 70.79 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 118.805 -1.158 . . . . 0.0 108.014 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.616 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 96.4 mt-10 -67.66 -38.76 84.23 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.506 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 24.6 tp -63.82 -46.25 85.93 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -59.73 -44.02 93.96 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.556 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -64.12 -41.06 97.37 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.454 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.542 HD13 ' CG ' ' B' ' 18' ' ' HIS . 35.0 tp -65.44 -45.05 85.34 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 119.852 -0.739 . . . . 0.0 112.237 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -69.63 -42.58 74.12 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.789 -0.765 . . . . 0.0 112.138 -179.783 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.47 -43.28 94.7 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.415 -0.914 . . . . 0.0 111.669 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.6 m -71.2 -42.37 69.08 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.439 ' O ' ' OG ' ' A' ' 2' ' ' SER . 77.3 mm-40 -74.58 -32.8 62.5 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.612 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 22.2 tp -100.21 123.68 44.74 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 119.648 -0.821 . . . . 0.0 112.081 -177.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.504 ' C ' ' N ' ' B' ' 44' ' ' PHE . 86.2 p -62.11 -27.46 68.94 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.758 0.79 . . . . 0.0 109.084 178.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.612 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -49.05 -14.32 0.44 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 178.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.504 ' N ' ' C ' ' B' ' 42' ' ' SER . 86.5 t80 -51.46 -41.71 61.06 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.786 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.17 -42.03 85.12 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 119.051 -1.06 . . . . 0.0 108.875 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -67.32 -33.1 74.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.958 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.599 ' O ' ' C ' ' B' ' 48' ' ' GLN . . . -58.86 -33.31 70.33 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -175.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.627 ' O ' HG12 ' B' ' 51' ' ' VAL . 94.1 mt-30 15.8 -126.74 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.398 0.544 . . . . 0.0 111.601 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -59.11 -31.56 69.04 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.054 0.454 . . . . 0.0 110.382 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' B' ' 47' ' ' ALA . 92.3 m-20 -55.44 -31.04 61.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.986 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.642 ' O ' HG12 ' B' ' 54' ' ' VAL . 6.1 p -52.41 -31.9 15.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.447 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.75 -36.29 67.14 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.921 0.391 . . . . 0.0 110.469 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.96 -27.22 60.99 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.943 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.642 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.0 p -51.86 -37.41 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -64.73 -41.32 96.03 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 119.802 -0.759 . . . . 0.0 110.323 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -62.73 -39.99 95.8 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.407 HG22 ' O ' ' B' ' 54' ' ' VAL . 12.2 m -71.24 -30.81 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 120.105 -0.638 . . . . 0.0 112.356 -177.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 94.9 mmm -57.13 -37.97 72.78 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.869 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -60.75 -44.86 96.18 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.665 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.72 -41.18 79.42 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.366 -0.533 . . . . 0.0 112.293 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -67.43 -38.04 83.93 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.669 -0.413 . . . . 0.0 112.112 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.544 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 45.8 t0 -88.68 108.28 19.38 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.561 -179.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.19 -34.62 77.91 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -58.65 -39.16 79.8 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 114.928 -1.033 . . . . 0.0 112.105 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.48 8.08 85.67 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 107.873 -2.091 . . . . 0.0 107.873 -177.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.67 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 44.6 p30 -63.33 -33.82 76.35 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 114.042 -1.079 . . . . 0.0 112.961 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.67 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.85 -5.96 66.8 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 109.484 -1.447 . . . . 0.0 109.484 -178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.525 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 59.2 mp0 -112.27 156.23 22.74 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.3 m -124.06 151.57 29.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-O 122.271 1.034 . . . . 0.0 113.264 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 55.9 t0 -104.3 163.28 12.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 113.357 -1.747 . . . . 0.0 108.615 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.52 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 73.8 t80 -51.14 -42.36 60.69 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 119.768 -0.773 . . . . 0.0 110.184 -179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -59.54 -41.87 91.03 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.214 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.407 ' O ' HG22 ' B' ' 76' ' ' VAL . 91.4 mt-10 -65.66 -38.64 89.89 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.12 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -61.64 -41.56 97.67 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.021 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.774 HG13 ' HB1' ' A' ' 79' ' ' ALA . 1.4 t -60.0 -45.0 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.042 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.407 HG22 ' O ' ' B' ' 73' ' ' GLU . 26.8 m -71.24 -34.9 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 119.528 -0.869 . . . . 0.0 110.029 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.788 HD13 ' C ' ' B' ' 77' ' ' LEU . 2.8 tm? -58.89 -44.88 91.25 Favored 'General case' 0 C--N 1.339 0.121 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.091 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.0 m -72.83 -37.36 54.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 119.766 -0.773 . . . . 0.0 111.412 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.773 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -63.41 -43.36 97.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.39 99.81 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.698 0.761 . . . . 0.0 110.164 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.94 -39.36 94.38 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.609 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.528 HG23 ' CG ' ' A' ' 8' ' ' MET . 43.6 m -54.67 -37.19 65.43 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.537 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.0 -34.25 52.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.006 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.07 -36.71 75.53 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.288 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 89.1 mmm -57.98 -38.05 75.35 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.649 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -59.6 -43.9 93.58 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.333 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -64.65 -46.0 84.39 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.132 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -67.24 -36.75 82.3 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.216 0.532 . . . . 0.0 111.537 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -54.08 -39.26 66.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.967 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.3 -34.62 61.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.088 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -57.58 -33.27 68.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.368 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -103.59 137.0 42.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.554 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.646 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 m -62.75 153.9 31.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 110.569 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.56 -37.52 84.1 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.732 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.0 tp -60.96 -42.52 98.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.843 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.59 ' OE2' ' N ' ' B' ' 42' ' ' SER . 97.4 mt-10 -67.4 -39.57 85.57 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.829 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.4 m -61.41 -43.39 98.95 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 119.919 -0.712 . . . . 0.0 110.677 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.65 -42.0 78.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.449 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.524 ' CG ' HG23 ' B' ' 82' ' ' THR . 63.7 ttp -62.95 -44.06 97.09 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -178.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.53 ' OE1' HD12 ' A' ' 12' ' ' ILE . 76.6 mm-40 -58.84 -31.18 68.27 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 120.926 0.393 . . . . 0.0 110.102 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.8 m -56.14 -36.35 68.17 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.252 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.4 mt -60.95 -40.64 94.09 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.606 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.53 HD12 ' OE1' ' A' ' 9' ' ' GLU . 80.6 mt -63.58 -47.6 90.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.503 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -60.89 -40.97 95.07 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.566 -0.453 . . . . 0.0 112.176 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -73.22 -38.75 55.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.013 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -61.93 -51.8 66.65 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 119.591 -0.843 . . . . 0.0 110.697 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -65.18 -45.47 84.72 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 113.024 0.749 . . . . 0.0 113.024 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.13 -52.42 55.38 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.656 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.576 ' CG ' HD13 ' A' ' 36' ' ' LEU . 90.6 m-70 -63.35 -45.03 93.08 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.119 -0.633 . . . . 0.0 111.841 179.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.4 p -63.58 -35.04 79.18 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.709 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.27 -40.61 94.79 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -59.68 -38.45 81.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.38 -0.41 . . . . 0.0 111.737 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.465 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 77.6 mm-40 -116.19 152.69 33.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.072 0.463 . . . . 0.0 111.627 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 22' ' ' GLU . . . 39.79 -161.83 0.01 OUTLIER Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.76 136.08 48.64 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.418 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.3 tttp -60.53 -39.32 87.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.076 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -64.18 -33.5 75.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.926 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -116.47 143.08 46.04 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.59 0.709 . . . . 0.0 112.119 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.556 HD12 ' OE1' ' A' ' 32' ' ' GLU . 14.4 tp -106.62 131.05 54.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.724 178.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 t -101.86 147.27 26.71 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -55.99 -36.35 67.78 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 118.685 -1.206 . . . . 0.0 110.023 -178.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -55.53 -40.79 72.27 Favored 'General case' 0 CA--C 1.512 -0.508 0 C-N-CA 118.722 -1.191 . . . . 0.0 108.097 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.556 ' OE1' HD12 ' A' ' 28' ' ' LEU . 96.8 mt-10 -65.92 -36.67 84.02 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 177.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.64 -45.75 88.8 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.484 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.53 -43.79 93.36 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 118.817 -1.153 . . . . 0.0 110.401 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.88 -41.31 87.44 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.087 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD13 ' CG ' ' A' ' 18' ' ' HIS . 38.7 tp -65.8 -47.26 75.71 Favored 'General case' 0 C--N 1.333 -0.125 0 C-N-CA 120.065 -0.654 . . . . 0.0 112.066 -178.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.561 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -70.28 -40.76 74.14 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.146 -0.621 . . . . 0.0 111.647 179.569 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.526 HE21 ' HB1' ' A' ' 47' ' ' ALA . 46.8 tt0 -63.46 -46.71 84.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.272 -178.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -71.66 -43.88 65.26 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.75 -33.02 62.26 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.555 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 19.2 tp -99.52 140.24 33.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.276 0.56 . . . . 0.0 111.954 -177.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.604 ' O ' ' N ' ' A' ' 44' ' ' PHE . 24.0 t -51.57 -26.62 9.01 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.555 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -45.49 -8.93 0.02 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.604 ' N ' ' O ' ' A' ' 42' ' ' SER . 48.1 t80 -48.71 -42.5 35.29 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.42 -36.67 78.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.44 0.638 . . . . 0.0 109.366 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' GLY . 58.8 t0 -80.23 10.91 3.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.922 -1.036 . . . . 0.0 110.739 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.537 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -61.69 -10.38 8.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.466 -178.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.604 ' O ' HG22 ' A' ' 51' ' ' VAL . 94.0 mt-30 -49.34 -162.85 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.382 0.61 . . . . 0.0 111.951 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -54.73 -20.64 8.78 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.352 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -53.58 -33.42 54.77 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.27 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 54' ' ' VAL . 22.5 m -57.61 -17.05 6.6 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.78 -178.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -56.2 -35.86 67.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.137 0.494 . . . . 0.0 109.76 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.16 -26.95 61.42 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.881 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.7 p -52.13 -36.85 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.318 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.47 -42.1 98.6 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.215 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.01 -39.92 95.18 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -71.36 -30.1 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.0 mmm -55.05 -35.68 64.76 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -58.33 -41.98 85.78 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.959 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.12 -40.02 86.75 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.428 -0.509 . . . . 0.0 112.275 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -67.74 -38.13 83.09 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.469 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -91.18 70.78 6.22 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.386 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.91 -35.1 77.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.642 HD21 ' CG ' ' A' ' 66' ' ' ASP . 43.2 p-10 -64.62 -31.22 72.34 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.91 178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.58 11.2 69.01 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.119 -0.562 . . . . 0.0 111.934 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.667 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 56.8 p30 -61.28 -34.66 75.56 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.667 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 91.76 -0.34 73.32 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 -178.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.456 ' H ' ' CG ' ' A' ' 66' ' ' ASP . 96.0 mt-10 -113.62 158.09 21.27 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.624 -0.788 . . . . 0.0 109.376 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -106.18 131.96 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.285 0.564 . . . . 0.0 110.679 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -100.99 157.52 16.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.132 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -52.78 -41.31 63.98 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.456 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.407 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.8 tt0 -59.05 -41.55 88.14 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.374 178.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' HG22 ' A' ' 76' ' ' VAL . 96.2 mt-10 -67.86 -38.45 83.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.408 0.623 . . . . 0.0 110.422 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -63.06 -46.06 89.25 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.4 p -60.56 -39.84 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.959 -178.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.3 m -74.84 -33.05 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 120.231 -0.588 . . . . 0.0 109.506 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.62 -44.43 89.95 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.688 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.57 -33.87 46.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.158 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.99 86.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.734 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.73 93.75 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.298 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.95 -37.46 87.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.03 0.443 . . . . 0.0 110.171 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.538 HG23 ' CG ' ' B' ' 8' ' ' MET . 55.0 m -54.18 -37.08 64.09 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.499 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.32 -35.54 58.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.776 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.33 88.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.499 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.48 -40.07 77.78 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -58.69 -43.81 90.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.373 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -63.03 -41.37 99.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.576 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -65.99 -35.1 79.66 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.659 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -53.17 -39.3 63.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.919 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -54.54 -35.09 62.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.735 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.53 -32.39 72.44 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.486 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -102.53 136.59 42.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.606 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.597 -179.896 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -62.79 153.93 31.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.697 0.284 . . . . 0.0 110.563 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.8 -37.34 84.01 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.686 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 19.1 tp -60.98 -42.55 98.58 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.16 -0.616 . . . . 0.0 109.781 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.583 ' OE2' ' N ' ' A' ' 42' ' ' SER . 97.4 mt-10 -67.49 -39.45 85.21 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.727 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 47.3 m -61.5 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.629 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.64 -41.98 78.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.414 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.538 ' CG ' HG23 ' A' ' 82' ' ' THR . 63.7 ttp -63.02 -44.02 97.11 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.528 ' OE1' HD12 ' B' ' 12' ' ' ILE . 76.6 mm-40 -58.82 -31.22 68.27 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.005 0.431 . . . . 0.0 110.153 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.6 m -56.17 -36.27 68.14 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.355 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.94 -40.68 94.19 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.213 -0.995 . . . . 0.0 110.601 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.528 HD12 ' OE1' ' B' ' 9' ' ' GLU . 81.0 mt -63.63 -47.53 90.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.486 -179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.88 -40.87 94.65 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.51 -0.476 . . . . 0.0 112.234 -178.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 m -73.35 -38.67 54.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 119.992 -0.683 . . . . 0.0 111.008 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -61.88 -51.92 66.23 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.617 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -65.06 -45.6 84.67 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.02 -52.48 55.78 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 119.801 -0.76 . . . . 0.0 111.731 -178.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.582 ' CG ' HD13 ' B' ' 36' ' ' LEU . 90.7 m-70 -63.29 -45.08 93.08 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.063 -0.655 . . . . 0.0 111.903 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.6 p -63.55 -35.09 79.34 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.751 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.22 -40.57 94.87 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.512 -0.635 . . . . 0.0 111.512 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -59.61 -38.53 81.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.478 -0.361 . . . . 0.0 111.745 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.458 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 77.8 mm-40 -116.2 152.72 33.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.038 0.447 . . . . 0.0 111.595 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' B' ' 22' ' ' GLU . . . 39.74 -161.89 0.01 OUTLIER Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.79 136.1 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.428 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -60.53 -39.31 87.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.064 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -64.2 -33.43 75.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.939 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -116.51 143.16 45.94 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.591 0.71 . . . . 0.0 112.045 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.56 HD12 ' OE1' ' B' ' 32' ' ' GLU . 14.5 tp -106.69 131.04 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.963 -1.017 . . . . 0.0 108.662 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 25.6 t -101.88 147.31 26.67 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -55.85 -36.37 67.46 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 118.662 -1.215 . . . . 0.0 110.135 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -55.55 -40.64 72.16 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 118.706 -1.198 . . . . 0.0 108.168 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.56 ' OE1' HD12 ' B' ' 28' ' ' LEU . 96.8 mt-10 -65.98 -36.7 84.03 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 177.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.72 -45.64 89.03 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.517 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -59.65 -43.75 93.77 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 118.82 -1.152 . . . . 0.0 110.362 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.92 -41.33 87.23 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.059 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.582 HD13 ' CG ' ' B' ' 18' ' ' HIS . 38.5 tp -65.66 -47.36 75.81 Favored 'General case' 0 C--N 1.333 -0.11 0 C-N-CA 120.048 -0.661 . . . . 0.0 112.097 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.7 OUTLIER -70.16 -40.75 74.53 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.164 -0.614 . . . . 0.0 111.742 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.534 HE21 ' HB1' ' B' ' 47' ' ' ALA . 46.7 tt0 -63.42 -46.67 85.27 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.956 -0.697 . . . . 0.0 111.288 -178.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.1 m -71.74 -43.94 64.95 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -74.72 -33.0 62.3 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.553 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 19.3 tp -99.67 140.31 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.293 0.568 . . . . 0.0 111.86 -177.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.61 ' O ' ' N ' ' B' ' 44' ' ' PHE . 23.9 t -51.67 -26.56 9.37 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.553 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -45.51 -8.91 0.02 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.61 ' N ' ' O ' ' B' ' 42' ' ' SER . 48.2 t80 -48.74 -42.44 35.32 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.37 -36.74 78.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.406 0.622 . . . . 0.0 109.368 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' B' ' 43' ' ' GLY . 58.8 t0 -80.25 10.99 3.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.788 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.534 ' HB1' HE21 ' B' ' 38' ' ' GLN . . . -61.74 -10.34 8.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.473 -178.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.603 ' O ' HG22 ' B' ' 51' ' ' VAL . 94.0 mt-30 -49.36 -162.76 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.369 0.604 . . . . 0.0 111.992 -179.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -54.79 -20.73 9.17 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.373 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.43 -33.49 54.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.324 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.674 ' O ' HG12 ' B' ' 54' ' ' VAL . 22.6 m -57.53 -17.11 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.745 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -56.19 -35.87 67.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.119 0.485 . . . . 0.0 109.774 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.16 -26.87 61.29 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.858 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.674 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.6 p -52.15 -36.95 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.279 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.47 -42.0 98.59 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.32 -0.952 . . . . 0.0 110.194 178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.13 -39.74 94.68 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -71.43 -30.18 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 92.9 mmm -55.03 -35.64 64.65 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -58.36 -42.04 86.08 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.984 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.05 -40.03 87.05 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.277 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.562 ' N ' ' CD2' ' B' ' 61' ' ' LEU . 0.5 OUTLIER -67.72 -38.18 83.23 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.485 179.8 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -91.08 70.76 6.31 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.471 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.89 -35.14 77.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.66 HD21 ' CG ' ' B' ' 66' ' ' ASP . 43.5 p-10 -64.61 -31.19 72.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.949 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.62 11.05 69.16 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 121.059 -0.591 . . . . 0.0 111.906 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.66 ' CG ' HD21 ' B' ' 64' ' ' ASN . 56.7 p30 -61.12 -34.71 75.41 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.657 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 91.82 -0.32 73.1 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.46 ' H ' ' CG ' ' B' ' 66' ' ' ASP . 96.1 mt-10 -113.68 158.18 21.22 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 114.602 -0.799 . . . . 0.0 109.332 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -106.25 131.97 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.365 0.602 . . . . 0.0 110.532 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -101.02 157.46 16.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.215 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -52.71 -41.32 63.81 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.621 -0.832 . . . . 0.0 109.481 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.404 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.7 tt0 -58.99 -41.64 88.1 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.435 178.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.407 ' O ' HG22 ' B' ' 76' ' ' VAL . 96.2 mt-10 -67.9 -38.42 82.96 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.403 178.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -63.04 -46.12 89.05 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.404 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.3 p -60.58 -39.78 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.964 -178.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.407 HG22 ' O ' ' B' ' 73' ' ' GLU . 33.3 m -74.84 -33.02 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 C-N-CA 120.281 -0.568 . . . . 0.0 109.577 178.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.62 -44.52 89.98 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.685 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.55 -33.76 45.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.199 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.01 87.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.655 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.91 94.27 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.333 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.84 -37.48 87.54 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.212 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.524 HG23 ' CG ' ' A' ' 8' ' ' MET . 55.7 m -54.14 -37.23 64.14 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.478 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 87.7 t -59.1 -35.65 58.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.874 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.23 88.4 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.452 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.46 -40.18 77.96 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -58.57 -43.86 89.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.39 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -63.03 -41.38 99.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.567 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -65.99 -35.07 79.59 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.646 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -53.29 -39.23 63.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.826 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -54.54 -35.06 62.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.778 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.53 -32.38 72.43 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.501 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -102.55 136.66 41.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.515 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.607 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' B' ' 40' ' ' GLU . 61.7 m -62.75 153.51 32.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.755 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.92 -36.36 81.12 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.888 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.2 tp -60.38 -42.96 96.96 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.224 0.535 . . . . 0.0 109.833 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.85 -42.24 86.05 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.8 m -61.48 -43.17 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.032 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.0 -41.3 82.48 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.969 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.48 ' CG ' HG23 ' B' ' 82' ' ' THR . 63.8 ttp -62.51 -43.15 99.52 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.69 -31.28 68.08 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.277 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.5 m -55.99 -36.14 67.54 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.267 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.3 mt -61.15 -40.6 94.47 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.318 -0.953 . . . . 0.0 110.972 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.9 -48.17 85.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.407 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -61.28 -41.28 96.68 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.538 -0.465 . . . . 0.0 112.253 -178.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.613 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 18.0 m -72.5 -39.31 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.381 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.86 -46.2 90.03 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.892 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.02 -49.34 75.0 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.933 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -45.86 83.63 Favored 'General case' 0 CA--C 1.521 -0.156 0 C-N-CA 120.132 -0.627 . . . . 0.0 111.706 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 74.6 m-70 -61.7 -46.21 90.65 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.239 -0.585 . . . . 0.0 111.32 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.5 p -63.79 -36.55 84.27 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.231 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.08 -39.15 96.12 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.867 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -59.61 -41.3 90.08 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.467 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -125.12 149.86 47.45 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.946 0.403 . . . . 0.0 111.799 -179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.84 -154.51 4.77 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -74.47 133.53 42.36 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.173 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.05 -40.93 95.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.244 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -65.67 -32.87 74.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.05 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -116.37 143.02 46.08 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.561 0.696 . . . . 0.0 112.497 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -108.1 132.05 53.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.068 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.9 t -102.29 150.39 23.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.685 0.279 . . . . 0.0 110.486 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -54.35 -40.45 68.09 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.112 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -60.04 -42.31 94.17 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.622 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.467 ' OE2' ' C ' ' A' ' 22' ' ' GLU . 97.3 mt-10 -65.81 -38.22 88.37 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.156 0.503 . . . . 0.0 110.184 178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.9 tp -62.15 -42.76 99.56 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.596 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.64 ' HZ3' HG21 ' A' ' 54' ' ' VAL . 12.4 tppt? -62.23 -47.47 84.25 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 120.109 -0.636 . . . . 0.0 112.054 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -63.83 -39.47 94.29 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.359 -0.537 . . . . 0.0 110.144 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 18' ' ' HIS . 14.7 tp -67.51 -56.83 7.96 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 tp -68.8 -40.86 79.38 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.714 -177.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.541 HE21 ' HA ' ' A' ' 44' ' ' PHE . 49.2 tp60 -62.7 -44.89 95.06 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.714 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.7 m -70.93 -44.37 66.29 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 113.242 0.831 . . . . 0.0 113.242 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.47 ' O ' ' OG ' ' B' ' 2' ' ' SER . 77.1 mm-40 -75.1 -30.7 60.96 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 16.9 tp -94.5 139.73 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.069 0.461 . . . . 0.0 111.307 -177.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.589 ' O ' ' N ' ' A' ' 44' ' ' PHE . 23.8 t -52.64 -27.37 16.89 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.51 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -45.58 -10.53 0.02 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 178.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.589 ' N ' ' O ' ' A' ' 42' ' ' SER . 62.0 t80 -50.24 -41.84 50.86 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.086 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.1 mt -59.96 -32.67 71.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.852 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.659 ' C ' ' H ' ' A' ' 48' ' ' GLN . 89.0 m-20 -81.42 9.52 7.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.716 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.22 18.85 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.659 ' H ' ' C ' ' A' ' 46' ' ' ASP . 93.8 mt-30 -71.38 -165.8 0.16 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.975 0.417 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -56.73 -24.11 47.31 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.626 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -51.49 -32.75 28.6 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.601 ' O ' HG12 ' A' ' 54' ' ' VAL . 42.9 t -49.83 -40.34 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.149 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.81 -35.42 66.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.97 0.414 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.4 -26.89 54.68 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.982 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.64 HG21 ' HZ3' ' A' ' 34' ' ' LYS . 5.4 p -51.73 -36.81 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.967 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 54' ' ' VAL . 56.6 t0 -65.8 -45.22 83.2 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 119.756 -0.778 . . . . 0.0 111.357 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -63.34 -41.1 98.85 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.1 m -72.51 -29.58 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.747 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.8 ttt -54.51 -39.91 68.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.798 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -60.29 -39.36 86.65 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.325 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.05 -42.25 94.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.531 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.31 -38.83 85.59 Favored 'General case' 0 CA--C 1.521 -0.138 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.337 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.525 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 64.3 t0 -90.91 110.3 21.53 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.564 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.35 -33.49 75.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.15 0.5 . . . . 0.0 110.176 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -57.06 -39.05 74.16 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.066 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.99 4.51 67.61 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 108.126 -1.99 . . . . 0.0 108.126 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.653 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.8 p30 -63.58 -33.54 75.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.316 -0.942 . . . . 0.0 112.865 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.653 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 95.23 -0.06 63.64 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -178.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -102.83 143.55 32.3 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.56 132.49 49.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-O 121.683 0.754 . . . . 0.0 112.262 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 58.2 t0 -109.4 155.51 21.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.376 -1.284 . . . . 0.0 108.992 178.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.489 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 81.8 t80 -52.39 -41.34 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.12 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.47 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.6 tt0 -57.8 -40.47 80.0 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.064 -0.655 . . . . 0.0 110.291 178.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' O ' HG22 ' A' ' 76' ' ' VAL . 95.1 mt-10 -67.28 -38.32 84.87 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.282 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.69 -45.19 91.18 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 113.469 0.915 . . . . 0.0 113.469 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.532 HG13 ' HB1' ' B' ' 79' ' ' ALA . 3.2 p -60.35 -39.2 80.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.769 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 73' ' ' GLU . 28.4 m -76.26 -33.48 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.159 -0.617 . . . . 0.0 109.965 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.436 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 9.6 tt -60.97 -41.66 96.81 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 75' ' ' VAL . 22.2 m -72.37 -32.45 42.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 CA-C-O 121.319 0.581 . . . . 0.0 110.745 179.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.534 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -61.31 -36.66 80.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.934 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.44 94.07 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.581 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.495 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.5 mp -65.3 -37.32 86.78 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.126 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.471 HG23 ' CG ' ' B' ' 8' ' ' MET . 58.3 m -53.75 -37.4 63.34 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.377 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.4 t -59.77 -34.52 55.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.391 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.95 -37.61 77.15 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.195 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.4 mmm -60.48 -37.25 80.46 Favored 'General case' 0 CA--C 1.511 -0.53 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.924 178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -59.63 -45.46 91.9 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.912 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -66.58 -44.46 82.17 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.121 0.486 . . . . 0.0 111.537 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -62.82 -42.56 99.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.03 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -53.02 -39.26 63.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.158 -177.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -54.77 -35.21 63.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.518 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.05 -32.83 73.39 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.607 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -100.84 120.58 40.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.616 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.551 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.694 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 61.3 m -62.65 153.4 32.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.793 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.78 -36.49 81.23 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.879 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 19.3 tp -60.32 -43.1 96.69 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.735 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.68 -42.38 86.61 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 42.8 m -61.4 -43.17 99.34 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.911 -0.715 . . . . 0.0 111.096 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.3 82.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.471 ' CG ' HG23 ' A' ' 82' ' ' THR . 63.9 ttp -62.53 -43.13 99.56 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.54 -31.54 68.04 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.038 0.447 . . . . 0.0 110.246 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.7 m -55.87 -36.16 67.3 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.336 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.14 -40.62 94.52 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.244 -0.983 . . . . 0.0 110.927 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.7 mt -64.8 -48.18 85.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.415 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.35 -41.21 96.68 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.515 -0.474 . . . . 0.0 112.251 -178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.607 ' O ' ' CD2' ' B' ' 18' ' ' HIS . 18.1 m -72.37 -39.5 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 119.827 -0.749 . . . . 0.0 110.339 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.78 -46.21 89.88 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 119.925 -0.71 . . . . 0.0 109.9 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.04 -49.37 74.83 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.869 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.97 83.47 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.685 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' B' ' 14' ' ' VAL . 74.3 m-70 -61.71 -46.21 90.63 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.265 -0.574 . . . . 0.0 111.275 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.6 p -63.88 -36.41 83.82 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.941 -0.704 . . . . 0.0 110.24 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.24 96.04 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.804 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -59.54 -41.32 89.77 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.461 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -125.16 149.84 47.52 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.026 0.441 . . . . 0.0 111.756 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.86 -154.51 4.8 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -74.53 133.55 42.27 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.062 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.1 -40.82 95.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.291 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -65.62 -32.9 74.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.102 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -116.49 142.89 46.28 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.584 0.706 . . . . 0.0 112.459 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 tp -108.04 132.14 53.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.034 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 26.8 t -102.31 150.46 23.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.693 0.282 . . . . 0.0 110.477 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -54.36 -40.51 68.16 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.085 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -60.02 -42.29 94.02 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.642 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.461 ' OE2' ' C ' ' B' ' 22' ' ' GLU . 97.2 mt-10 -65.8 -38.33 88.68 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.08 0.467 . . . . 0.0 110.112 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 25.8 tp -62.17 -42.52 99.35 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.671 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.67 ' HZ3' HG21 ' B' ' 54' ' ' VAL . 12.4 tppt? -62.52 -47.39 84.13 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.983 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -63.78 -39.54 94.52 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.129 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.475 HD13 ' CG ' ' B' ' 18' ' ' HIS . 14.9 tp -67.42 -56.85 7.98 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 tp -68.79 -40.85 79.39 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.719 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.534 HE21 ' HA ' ' B' ' 44' ' ' PHE . 49.3 tp60 -62.77 -44.9 94.96 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.659 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 48.9 m -70.94 -44.43 66.12 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.485 ' O ' ' OG ' ' A' ' 2' ' ' SER . 77.0 mm-40 -75.04 -30.68 61.12 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.518 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 16.9 tp -94.46 139.7 30.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.11 0.481 . . . . 0.0 111.307 -177.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.596 ' O ' ' N ' ' B' ' 44' ' ' PHE . 23.6 t -52.64 -27.37 16.89 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.518 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -45.61 -10.52 0.02 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.111 -1.196 . . . . 0.0 110.111 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.596 ' N ' ' O ' ' B' ' 42' ' ' SER . 62.0 t80 -50.19 -41.84 50.19 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.077 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.09 -32.54 71.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.816 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.669 ' C ' ' H ' ' B' ' 48' ' ' GLN . 88.9 m-20 -81.43 9.52 7.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.752 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.27 18.84 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.669 ' H ' ' C ' ' B' ' 46' ' ' ASP . 93.8 mt-30 -71.33 -165.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -56.77 -24.1 47.84 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.62 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -51.46 -32.78 28.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.606 ' O ' HG12 ' B' ' 54' ' ' VAL . 43.2 t -49.84 -40.33 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.189 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.76 -35.44 66.22 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.015 0.436 . . . . 0.0 110.776 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.51 -26.78 55.5 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.971 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.67 HG21 ' HZ3' ' B' ' 34' ' ' LYS . 5.4 p -51.72 -36.96 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.925 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.428 ' N ' ' CG1' ' B' ' 54' ' ' VAL . 56.4 t0 -65.66 -45.19 83.91 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.446 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -63.43 -41.02 98.67 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 21.2 m -72.55 -29.52 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.771 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.9 ttt -54.53 -39.95 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -60.21 -39.37 86.36 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.357 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.13 -42.24 94.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.514 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 70.4 mt -67.24 -38.88 85.91 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.311 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 64.3 t0 -90.93 110.33 21.57 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.613 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.35 -33.5 75.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 0.0 110.218 178.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -56.9 -39.26 74.09 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.065 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.03 4.54 67.88 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 108.204 -1.958 . . . . 0.0 108.204 -177.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.656 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.7 p30 -63.58 -33.45 75.63 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 114.214 -0.993 . . . . 0.0 112.952 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.656 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 95.23 -0.1 63.68 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -178.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -102.82 143.6 32.24 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.57 132.49 49.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 121.764 0.792 . . . . 0.0 112.21 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 58.2 t0 -109.4 155.46 21.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.276 -1.329 . . . . 0.0 108.995 178.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.485 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 82.3 t80 -52.27 -41.4 62.82 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.739 -0.784 . . . . 0.0 110.117 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.465 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.6 tt0 -57.82 -40.38 79.87 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.327 179.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.427 ' O ' HG22 ' B' ' 76' ' ' VAL . 95.1 mt-10 -67.36 -38.31 84.59 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.303 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -63.63 -45.36 90.63 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.534 HG13 ' HB1' ' A' ' 79' ' ' ALA . 3.0 p -60.23 -39.17 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 119.954 -0.699 . . . . 0.0 110.907 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.427 HG22 ' O ' ' B' ' 73' ' ' GLU . 28.3 m -76.26 -33.52 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 120.147 -0.621 . . . . 0.0 109.967 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' B' ' 81' ' ' LEU . 9.6 tt -60.86 -41.73 96.47 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.925 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.404 HG22 ' O ' ' B' ' 75' ' ' VAL . 21.9 m -72.29 -32.4 42.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 121.419 0.628 . . . . 0.0 110.882 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.532 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -61.31 -36.66 80.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.97 -179.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.5 93.89 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.563 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.496 HD12 ' H ' ' B' ' 81' ' ' LEU . 6.5 mp -65.29 -37.27 86.66 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.101 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.48 HG23 ' CG ' ' A' ' 8' ' ' MET . 58.7 m -53.81 -37.38 63.48 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.393 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 77.1 t -59.73 -34.49 55.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.405 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.03 -37.64 77.42 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.118 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 89.3 mmm -60.51 -37.3 80.68 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.239 -0.585 . . . . 0.0 110.92 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -59.57 -45.44 91.85 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.909 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -66.66 -44.49 81.7 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.14 0.495 . . . . 0.0 111.537 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -62.84 -42.48 99.75 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.051 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -53.06 -39.33 63.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.076 -177.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -54.59 -35.32 63.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.528 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.13 -32.75 73.37 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.574 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -100.95 120.63 40.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.598 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.511 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -107.66 151.82 25.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.664 0.268 . . . . 0.0 110.492 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.93 -38.21 87.59 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.641 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.52 -42.06 99.26 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 120.241 -0.584 . . . . 0.0 109.584 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.67 -41.57 99.15 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.616 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.0 m -63.75 -40.17 96.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.659 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.02 -43.9 90.93 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.367 -178.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.644 ' HB2' HG23 ' B' ' 82' ' ' THR . 15.5 ptp -64.71 -43.34 93.77 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 119.082 -1.047 . . . . 0.0 111.307 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -57.77 -31.94 67.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.066 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.4 m -56.03 -37.69 69.53 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.824 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.0 mt -62.9 -41.24 99.37 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.638 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.571 ' CG2' ' CE1' ' A' ' 16' ' ' HIS . 78.3 mt -64.89 -45.43 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.423 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -59.5 -43.16 93.43 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.711 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.437 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 23.3 m -72.59 -36.93 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.257 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.496 ' CE1' HD22 ' A' ' 28' ' ' LEU . 63.4 t80 -62.63 -49.14 76.35 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.086 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CE1' ' CG2' ' A' ' 12' ' ' ILE . 55.5 m170 -63.73 -48.49 76.84 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -51.42 59.1 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 119.83 -0.748 . . . . 0.0 111.973 -178.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.628 ' CG ' HD13 ' A' ' 36' ' ' LEU . 77.7 m80 -62.71 -46.57 87.48 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.68 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.8 t -60.34 -40.7 91.63 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.74 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.59 -35.89 92.49 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.948 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.94 -41.3 82.49 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.242 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.496 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.5 mt-10 -127.09 140.8 52.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.628 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.7 -166.04 53.36 Favored Glycine 0 CA--C 1.522 0.51 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.388 178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -73.0 141.99 47.73 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -60.86 -40.66 93.8 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.205 0.526 . . . . 0.0 110.625 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -68.0 -33.44 74.63 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 -178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -115.76 142.86 46.19 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -177.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' ' 15' ' ' PHE . 35.0 tp -108.24 132.31 53.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.748 177.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -104.28 151.94 22.81 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.449 ' HD2' HD23 ' A' ' 33' ' ' LEU . 26.3 tptp -55.89 -39.4 71.52 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.193 -179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -59.18 -41.9 89.56 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 119.001 -1.08 . . . . 0.0 109.151 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.496 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.9 mt-10 -65.89 -37.37 85.95 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.456 0.646 . . . . 0.0 109.781 178.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.449 HD23 ' HD2' ' A' ' 30' ' ' LYS . 18.7 tp -61.3 -42.06 98.03 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.658 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.585 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 85.6 mttt -60.54 -43.2 97.45 Favored 'General case' 0 CA--C 1.513 -0.469 0 C-N-CA 119.921 -0.712 . . . . 0.0 109.918 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.51 -39.25 91.62 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.96 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.628 HD13 ' CG ' ' A' ' 18' ' ' HIS . 45.3 tp -64.75 -52.65 55.88 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.949 -0.7 . . . . 0.0 112.596 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.7 mt -71.22 -36.27 71.81 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 119.553 -0.859 . . . . 0.0 111.966 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.567 HE22 ' HB2' ' A' ' 47' ' ' ALA . 67.5 tp60 -60.23 -46.62 89.14 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.574 -0.85 . . . . 0.0 110.812 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.6 m -74.82 -44.96 46.5 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.442 ' O ' ' OG ' ' B' ' 2' ' ' SER . 78.4 mm-40 -75.39 -31.29 60.39 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -176.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.667 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 17.4 tp -95.25 131.97 40.74 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -175.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.629 ' O ' ' N ' ' A' ' 44' ' ' PHE . 24.7 m -54.7 -29.56 53.41 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.667 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -44.3 -9.76 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 114.301 -1.318 . . . . 0.0 109.824 178.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.629 ' N ' ' O ' ' A' ' 42' ' ' SER . 63.7 t80 -47.07 -44.08 20.63 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.472 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -64.44 -41.81 96.36 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.456 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 43' ' ' GLY . 54.8 t0 -62.8 -34.63 77.67 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 114.857 -1.065 . . . . 0.0 112.29 179.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.576 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -29.0 -67.89 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.234 -177.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.596 ' O ' HG12 ' A' ' 51' ' ' VAL . 94.2 mt-30 32.93 -161.89 0.0 OUTLIER 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.166 0.508 . . . . 0.0 111.204 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.449 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 25.5 pttm -58.96 -29.02 66.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.445 0.641 . . . . 0.0 109.335 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.76 -33.21 55.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.174 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 54' ' ' VAL . 6.2 p -52.85 -32.95 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.934 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.2 p30 -58.95 -32.39 69.57 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.642 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.662 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -56.95 -27.52 61.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.827 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.664 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.5 p -54.06 -35.64 29.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.103 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.585 ' OD1' ' NZ ' ' A' ' 34' ' ' LYS . 87.3 m-20 -67.41 -44.6 78.42 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 119.812 -0.755 . . . . 0.0 112.812 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -68.82 -42.8 76.74 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 54' ' ' VAL . 2.8 p -61.72 -31.23 50.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.821 -1.082 . . . . 0.0 112.057 -177.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.6 ttt -52.52 -37.53 57.75 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.82 -40.0 82.85 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.07 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.49 -40.43 85.21 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.877 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 61' ' ' LEU . 7.4 mp -68.63 -38.11 80.26 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.572 ' OD2' ' N ' ' A' ' 65' ' ' GLY . 23.5 t70 -84.6 100.62 11.54 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 119.454 -0.898 . . . . 0.0 111.029 -179.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.36 -34.74 76.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.294 0.569 . . . . 0.0 110.446 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -57.38 -37.98 73.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.811 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.572 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 79.23 4.91 89.16 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 107.819 -2.112 . . . . 0.0 107.819 -177.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.674 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 52.9 p30 -63.25 -34.47 77.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.201 -0.999 . . . . 0.0 112.806 -179.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.674 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 93.44 -0.26 68.06 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -111.92 153.28 26.96 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.256 -0.472 . . . . 0.0 109.765 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.6 t -108.02 133.7 52.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.443 0.64 . . . . 0.0 111.633 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 55.3 t0 -101.45 155.68 17.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.099 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 76.3 t80 -52.05 -42.77 63.4 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.44 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -59.06 -40.56 85.55 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.366 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.52 -38.4 90.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.343 0.592 . . . . 0.0 109.804 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -63.21 -41.08 99.09 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.242 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.746 HG13 ' HB1' ' B' ' 79' ' ' ALA . 0.9 OUTLIER -60.23 -45.69 95.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.751 -179.31 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.83 -33.85 53.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.913 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.9 tp -58.22 -48.84 79.12 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.91 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.81 -33.6 31.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.746 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -60.81 -40.17 91.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.408 -178.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.06 96.22 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.979 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.7 -37.5 87.57 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.248 179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.619 HG23 ' HB2' ' B' ' 8' ' ' MET . 58.5 m -53.59 -38.38 63.88 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.245 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 80.1 t -61.44 -34.55 61.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.642 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.05 85.64 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.914 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.9 ttp -57.16 -39.63 75.63 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.485 -0.886 . . . . 0.0 108.741 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -59.03 -41.49 87.94 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.54 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.93 -43.42 98.66 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.501 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -64.63 -35.01 79.64 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.932 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.34 -39.43 64.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.298 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.25 -34.9 61.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.195 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.8 -33.63 68.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.35 137.18 42.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.494 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.587 179.927 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 40' ' ' GLU . 90.3 p -107.68 151.68 25.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 0.0 110.488 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.84 -38.18 87.23 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.686 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.59 -42.05 99.33 Favored 'General case' 0 C--O 1.244 0.765 0 C-N-CA 120.172 -0.611 . . . . 0.0 109.587 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.63 -41.54 99.08 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.676 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.1 m -63.79 -40.19 96.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.669 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.96 -43.97 90.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.356 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.619 ' HB2' HG23 ' A' ' 82' ' ' THR . 15.6 ptp -64.64 -43.43 93.69 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 119.113 -1.035 . . . . 0.0 111.326 -179.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -57.67 -32.01 66.9 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.16 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.4 m -56.03 -37.67 69.51 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 120.229 -0.589 . . . . 0.0 109.922 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.78 -41.28 99.19 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.673 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.568 ' CG2' ' CE1' ' B' ' 16' ' ' HIS . 78.5 mt -64.89 -45.45 94.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.349 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -59.57 -43.12 93.69 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.611 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.3 m -72.56 -37.13 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.14 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.497 ' CE1' HD22 ' B' ' 28' ' ' LEU . 63.3 t80 -62.47 -49.11 76.69 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.192 179.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.568 ' CE1' ' CG2' ' B' ' 12' ' ' ILE . 55.6 m170 -63.78 -48.49 76.7 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.71 -51.53 58.6 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.963 -178.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.631 ' CG ' HD13 ' B' ' 36' ' ' LEU . 77.7 m80 -62.61 -46.67 87.22 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.173 -0.611 . . . . 0.0 111.656 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.8 t -60.34 -40.65 91.44 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.741 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.51 -35.99 92.61 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.956 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -57.94 -41.26 82.4 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.292 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.49 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -127.2 140.87 51.94 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.595 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.66 -166.03 53.32 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 178.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -73.05 142.06 47.62 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.91 -40.68 94.06 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.217 0.532 . . . . 0.0 110.585 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -67.88 -33.64 75.13 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -178.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -115.63 142.84 46.2 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.497 HD22 ' CE1' ' B' ' 15' ' ' PHE . 34.8 tp -108.18 132.35 53.72 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 114.408 -1.269 . . . . 0.0 108.835 177.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.1 m -104.33 151.91 22.88 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.444 ' HD2' HD23 ' B' ' 33' ' ' LEU . 26.3 tptp -55.81 -39.47 71.37 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.172 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -59.14 -41.89 89.36 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.165 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.49 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.9 mt-10 -65.94 -37.33 85.75 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.441 0.638 . . . . 0.0 109.789 178.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.444 HD23 ' HD2' ' B' ' 30' ' ' LYS . 18.5 tp -61.23 -42.1 98.02 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.641 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.592 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 85.5 mttt -60.55 -43.24 97.43 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.855 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.49 -39.24 91.67 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.965 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.631 HD13 ' CG ' ' B' ' 18' ' ' HIS . 45.2 tp -64.82 -52.49 56.51 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 119.826 -0.75 . . . . 0.0 112.657 -178.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.4 mt -71.32 -36.13 71.47 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 119.604 -0.838 . . . . 0.0 111.97 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.568 HE22 ' HB2' ' B' ' 47' ' ' ALA . 67.3 tp60 -60.3 -46.68 89.02 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.626 -0.83 . . . . 0.0 110.813 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 50.4 m -74.77 -44.96 46.9 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -75.36 -31.42 60.51 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -176.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.683 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 17.3 tp -95.18 132.02 40.58 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -175.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.618 ' O ' ' N ' ' B' ' 44' ' ' PHE . 24.5 m -54.78 -29.54 54.51 Favored 'General case' 0 C--O 1.242 0.667 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.683 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -44.4 -9.66 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.865 178.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.618 ' N ' ' O ' ' B' ' 42' ' ' SER . 63.9 t80 -47.1 -44.06 20.97 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.466 HD13 ' O ' ' B' ' 45' ' ' LEU . 0.2 OUTLIER -64.48 -41.81 96.25 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.483 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' B' ' 47' ' ' ALA . 54.8 t0 -62.83 -34.59 77.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.33 179.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.594 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -29.02 -67.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.261 -177.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.594 ' O ' ' O ' ' B' ' 47' ' ' ALA . 94.2 mt-30 32.95 -161.96 0.0 OUTLIER 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 111.198 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.448 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 25.5 pttm -58.91 -28.94 66.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.382 0.61 . . . . 0.0 109.376 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.85 -33.23 55.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.155 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.669 ' O ' HG12 ' B' ' 54' ' ' VAL . 6.2 p -52.85 -32.89 18.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.955 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.669 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.2 p30 -59.06 -32.37 69.71 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.567 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.669 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -56.96 -27.47 61.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.879 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.669 HG12 ' O ' ' B' ' 51' ' ' VAL . 5.5 p -54.06 -35.7 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.086 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.592 ' OD1' ' NZ ' ' B' ' 34' ' ' LYS . 87.2 m-20 -67.36 -44.57 78.65 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 119.77 -0.772 . . . . 0.0 112.841 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -68.88 -42.81 76.47 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.437 HG12 ' O ' ' B' ' 54' ' ' VAL . 2.8 p -61.59 -31.4 50.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.071 -177.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 22.5 ttt -52.43 -37.57 57.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.802 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -58.77 -40.06 82.84 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.072 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.45 -40.45 85.4 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.336 -0.545 . . . . 0.0 111.853 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.526 HD12 ' N ' ' B' ' 61' ' ' LEU . 7.4 mp -68.59 -38.11 80.38 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.587 ' OD2' ' N ' ' B' ' 65' ' ' GLY . 23.6 t70 -84.68 100.67 11.62 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.987 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.33 -34.81 76.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.298 0.571 . . . . 0.0 110.469 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -57.36 -38.02 73.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.748 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.587 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 79.27 4.96 89.21 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 107.841 -2.104 . . . . 0.0 107.841 -177.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.671 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 53.1 p30 -63.23 -34.47 77.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.095 -1.052 . . . . 0.0 112.838 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.671 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 93.39 -0.15 68.05 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -178.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -111.99 153.32 26.97 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.307 -0.446 . . . . 0.0 109.82 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 42.1 t -107.98 133.6 52.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.376 0.608 . . . . 0.0 111.628 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 55.4 t0 -101.49 155.79 17.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.177 178.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.478 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 76.4 t80 -52.13 -42.7 63.54 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.142 -0.623 . . . . 0.0 110.385 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -59.2 -40.51 85.97 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.101 -0.639 . . . . 0.0 110.406 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -64.54 -38.4 90.89 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.204 -0.598 . . . . 0.0 109.791 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -63.1 -41.1 99.3 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.322 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.746 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -60.26 -45.68 95.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.692 -179.264 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.81 -33.96 54.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.865 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 15.9 tp -58.11 -48.89 78.82 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.963 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.96 -33.4 29.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.087 0.47 . . . . 0.0 112.257 -179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.746 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -60.88 -40.21 92.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.332 -178.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.94 95.92 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.838 -0.745 . . . . 0.0 109.923 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 67.5 mt -63.66 -37.51 87.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.287 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.644 HG23 ' HB2' ' A' ' 8' ' ' MET . 58.9 m -53.55 -38.47 63.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.254 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 78.5 t -61.34 -34.58 61.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.72 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.41 -38.15 86.06 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.857 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 5.9 ttp -57.03 -39.7 75.3 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 119.498 -0.881 . . . . 0.0 108.721 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -58.97 -41.48 87.64 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.539 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.91 -43.44 98.56 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.478 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -64.61 -35.04 79.73 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.88 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -53.44 -39.38 64.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.24 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.19 -34.92 61.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.196 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.92 -33.5 68.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.606 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -104.41 137.19 42.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.605 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.445 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 33.3 t -107.46 142.23 37.64 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.016 0.436 . . . . 0.0 110.661 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.64 -36.75 79.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.555 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.96 -42.47 98.35 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.004 -0.679 . . . . 0.0 109.857 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.874 ' OE2' HD12 ' B' ' 41' ' ' LEU . 77.2 mm-40 -67.06 -39.22 86.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.643 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.9 m -61.8 -43.03 99.66 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.931 -0.708 . . . . 0.0 110.401 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.04 -38.98 83.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.48 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.682 ' CG ' HG23 ' B' ' 82' ' ' THR . 48.2 ttm -61.02 -45.02 96.49 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.08 -178.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.42 -31.55 67.83 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.212 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.8 m -56.52 -36.91 69.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.201 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.17 -42.31 99.15 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 118.998 -1.081 . . . . 0.0 110.659 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.0 mt -66.36 -43.34 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.02 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -60.18 -43.38 95.89 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.96 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 15' ' ' PHE . 20.6 m -74.46 -40.78 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.283 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.423 ' N ' HG23 ' A' ' 14' ' ' VAL . 65.9 t80 -63.38 -49.2 74.76 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.829 -0.749 . . . . 0.0 110.182 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -64.0 -46.88 82.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.34 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.36 -51.8 53.48 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.836 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.621 ' CG ' HD13 ' A' ' 36' ' ' LEU . 76.8 m80 -62.07 -46.62 88.33 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.069 -0.653 . . . . 0.0 111.416 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.1 p -64.0 -35.26 80.11 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.355 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.25 -38.07 93.45 Favored Glycine 0 CA--C 1.522 0.487 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.175 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -58.92 -41.77 88.11 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.514 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 77.9 mm-40 -127.65 147.85 50.37 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.667 -179.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.61 -163.87 53.13 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 177.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -71.93 136.88 47.02 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.59 -39.2 90.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.122 0.487 . . . . 0.0 110.881 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -67.24 -33.8 76.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -119.05 150.63 39.66 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.3 tp -102.73 133.67 47.38 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 114.004 -1.453 . . . . 0.0 108.718 177.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.7 m -102.33 154.81 18.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.403 ' NZ ' ' HG3' ' A' ' 58' ' ' MET . 10.7 tptm -55.28 -42.15 73.22 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.921 -178.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -60.09 -42.04 93.77 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 119.127 -1.029 . . . . 0.0 109.558 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.514 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 97.1 mt-10 -66.56 -39.7 88.64 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.912 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.467 HD23 ' C ' ' A' ' 33' ' ' LEU . 9.7 tt -65.06 -43.03 93.61 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.868 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -60.74 -46.53 90.08 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 119.539 -0.864 . . . . 0.0 111.095 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.27 -38.8 88.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.11 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.621 HD13 ' CG ' ' A' ' 18' ' ' HIS . 48.6 tp -63.03 -45.4 92.5 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.099 -0.641 . . . . 0.0 111.846 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -70.07 -40.68 74.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.461 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -63.25 -45.12 93.03 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 119.734 -0.786 . . . . 0.0 111.306 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.1 m -70.9 -43.66 67.86 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.451 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 77.0 mm-40 -74.71 -32.03 62.03 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -177.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.883 HD12 ' OE2' ' B' ' 5' ' ' GLU . 14.1 tp -97.52 140.35 32.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.373 0.606 . . . . 0.0 111.787 -177.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.608 ' O ' ' N ' ' A' ' 44' ' ' PHE . 27.3 m -50.35 -27.31 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . -44.47 -9.24 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.584 -1.007 . . . . 0.0 110.584 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.608 ' N ' ' O ' ' A' ' 42' ' ' SER . 58.9 t80 -49.35 -40.69 36.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.406 ' C ' ' H ' ' A' ' 47' ' ' ALA . 26.3 tp -58.31 -35.67 72.21 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 43' ' ' GLY . 89.2 m-20 -79.94 19.51 0.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.682 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -54.98 -21.88 13.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.368 -178.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.503 ' O ' ' O ' ' A' ' 47' ' ' ALA . 92.1 mm-40 -52.71 -154.6 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.3 0.571 . . . . 0.0 112.04 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 52' ' ' ASP . 2.7 ptpp? -56.09 -24.44 40.26 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.58 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -52.6 -33.26 45.43 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.5 t -53.74 -35.47 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.256 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.9 p30 -56.91 -31.96 65.44 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.165 -0.614 . . . . 0.0 110.311 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.654 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -56.08 -27.07 52.11 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.329 0.585 . . . . 0.0 109.533 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 57' ' ' VAL . 73.0 t -54.1 -41.31 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.011 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.402 ' HA ' ' HZ1' ' A' ' 30' ' ' LYS . 89.5 m-20 -64.83 -43.7 92.21 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.807 -0.757 . . . . 0.0 111.878 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -63.54 -38.64 91.92 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 54' ' ' VAL . 29.1 m -69.92 -32.27 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 120.007 -0.677 . . . . 0.0 112.728 -178.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.403 ' HG3' ' NZ ' ' A' ' 30' ' ' LYS . 95.6 mmm -57.84 -40.06 79.17 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.427 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.22 -41.06 98.05 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.568 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.91 -46.23 72.17 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.796 HD22 HD12 ' A' ' 77' ' ' LEU . 6.3 mp -70.26 -39.44 74.96 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 120.004 -0.679 . . . . 0.0 112.734 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.511 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 62.9 t0 -89.37 109.2 20.13 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.658 -178.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.33 -34.36 78.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.29 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -55.58 -36.95 67.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.881 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.91 9.35 66.04 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 108.22 -1.952 . . . . 0.0 108.22 -177.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.675 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 47.5 p30 -62.72 -33.8 75.86 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 114.277 -0.962 . . . . 0.0 112.921 -178.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.675 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.24 -7.23 66.55 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.289 -1.525 . . . . 0.0 109.289 -178.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 58.5 mp0 -114.46 153.46 29.9 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.1 m -126.05 152.54 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 122.017 0.913 . . . . 0.0 112.813 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.3 t0 -102.95 159.76 15.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 113.77 -1.559 . . . . 0.0 108.526 178.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.493 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 74.5 t80 -51.16 -40.74 59.29 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.656 -179.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.461 ' O ' HG12 ' A' ' 75' ' ' VAL . 51.3 tt0 -58.08 -41.89 84.42 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.579 178.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 76' ' ' VAL . 94.6 mt-10 -68.41 -38.11 80.95 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.144 178.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -63.35 -44.92 93.47 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 72' ' ' GLN . 3.5 p -59.93 -39.84 81.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.634 -178.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 73' ' ' GLU . 35.2 m -74.37 -32.74 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 120.032 -0.667 . . . . 0.0 109.381 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.796 HD12 HD22 ' A' ' 61' ' ' LEU . 15.7 tp -56.66 -45.61 81.57 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.314 -0.555 . . . . 0.0 110.135 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.18 -34.63 45.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.307 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.12 -37.6 85.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.934 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.68 95.96 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.126 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.0 mt -64.25 -36.97 85.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.132 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.677 HG23 ' CG ' ' B' ' 8' ' ' MET . 47.9 m -54.16 -36.77 63.7 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.68 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 70.5 t -58.64 -34.58 51.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.037 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.55 -37.48 75.79 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.29 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.2 mmm -60.61 -37.9 82.91 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.217 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -60.09 -45.86 91.52 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.694 -0.802 . . . . 0.0 111.036 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -65.9 -44.22 85.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.133 0.492 . . . . 0.0 111.476 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -62.54 -42.56 99.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.305 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -53.49 -39.01 64.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.915 -178.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -54.55 -34.87 62.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.539 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.5 -32.91 72.95 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.488 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -104.51 137.04 42.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.489 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.483 -179.929 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.451 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 33.4 t -107.55 142.38 37.55 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 110.646 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.76 -36.62 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.14 -42.33 98.35 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.0 -0.68 . . . . 0.0 109.85 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.883 ' OE2' HD12 ' A' ' 41' ' ' LEU . 77.0 mm-40 -67.2 -39.14 86.31 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.554 179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.1 m -61.81 -43.18 99.36 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.304 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.95 83.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.432 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.677 ' CG ' HG23 ' A' ' 82' ' ' THR . 48.1 ttm -60.97 -44.97 96.58 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-O 120.96 0.409 . . . . 0.0 112.023 -178.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.47 -31.61 67.98 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.261 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.8 m -56.54 -36.89 69.78 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.182 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.19 -42.26 99.12 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 118.911 -1.116 . . . . 0.0 110.706 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.1 mt -66.34 -43.36 91.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.973 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -60.18 -43.54 95.77 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.937 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.422 HG23 ' N ' ' B' ' 15' ' ' PHE . 20.2 m -74.31 -40.82 50.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 120.039 -0.665 . . . . 0.0 111.315 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.422 ' N ' HG23 ' B' ' 14' ' ' VAL . 65.9 t80 -63.29 -49.27 74.67 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.229 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -63.96 -46.91 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.337 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.32 -51.86 53.0 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.837 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.622 ' CG ' HD13 ' B' ' 36' ' ' LEU . 76.9 m80 -62.02 -46.62 88.36 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.495 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -63.99 -35.26 80.11 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.407 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.83 93.16 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.199 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -59.07 -41.77 88.76 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -178.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.509 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 77.7 mm-40 -127.68 147.87 50.39 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.681 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.5 -163.94 52.92 Favored Glycine 0 C--N 1.33 0.223 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -71.82 136.95 47.24 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -61.66 -39.22 90.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 0.0 110.786 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -67.2 -33.88 76.32 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -178.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -119.01 150.67 39.56 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 34.4 tp -102.76 133.62 47.51 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 114.02 -1.445 . . . . 0.0 108.659 177.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.6 m -102.29 154.72 18.78 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -55.17 -42.16 72.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -60.03 -42.06 93.57 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 119.163 -1.015 . . . . 0.0 109.617 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.509 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 97.1 mt-10 -66.56 -39.79 88.69 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.916 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.472 ' C ' HD23 ' B' ' 33' ' ' LEU . 9.7 tt -65.05 -43.0 93.73 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.892 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -60.8 -46.46 90.44 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 119.456 -0.897 . . . . 0.0 111.123 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.17 -38.81 88.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.17 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.622 HD13 ' CG ' ' B' ' 18' ' ' HIS . 49.0 tp -63.2 -45.25 92.6 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.765 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -70.04 -40.76 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.422 179.313 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -63.34 -45.14 92.6 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.759 -0.777 . . . . 0.0 111.178 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 52.6 m -70.9 -43.65 67.87 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.445 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 76.9 mm-40 -74.67 -32.1 62.12 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.874 HD12 ' OE2' ' A' ' 5' ' ' GLU . 14.2 tp -97.5 140.38 32.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.371 0.605 . . . . 0.0 111.733 -177.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.601 ' O ' ' N ' ' B' ' 44' ' ' PHE . 27.7 m -50.29 -27.23 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' B' ' 46' ' ' ASP . . . -44.64 -9.09 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 178.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.601 ' N ' ' O ' ' B' ' 42' ' ' SER . 58.9 t80 -49.45 -40.61 37.56 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.432 ' C ' ' H ' ' B' ' 47' ' ' ALA . 26.2 tp -58.31 -35.74 72.31 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' B' ' 43' ' ' GLY . 89.1 m-20 -79.91 19.54 0.69 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.663 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' B' ' 44' ' ' PHE . . . -54.93 -22.0 13.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.341 -179.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.495 ' O ' ' O ' ' B' ' 47' ' ' ALA . 92.1 mm-40 -52.65 -154.59 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.356 0.598 . . . . 0.0 112.053 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.433 ' O ' ' CG ' ' B' ' 52' ' ' ASP . 2.7 ptpp? -55.98 -24.58 39.55 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.588 -178.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -52.55 -33.21 44.62 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 54.2 t -53.73 -35.44 26.85 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.289 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.66 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 52.1 p30 -56.94 -31.95 65.49 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.397 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.66 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -56.18 -26.87 52.4 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.282 0.563 . . . . 0.0 109.511 179.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.418 ' O ' HG22 ' B' ' 57' ' ' VAL . 73.0 t -54.12 -41.31 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.01 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -64.8 -43.77 92.11 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 119.8 -0.76 . . . . 0.0 111.891 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -63.53 -38.62 91.81 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 54' ' ' VAL . 29.4 m -69.99 -32.16 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 119.978 -0.689 . . . . 0.0 112.78 -178.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 95.4 mmm -57.94 -39.97 79.35 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.445 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.27 -41.0 98.08 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.59 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.9 -46.22 72.21 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.79 HD22 HD12 ' B' ' 77' ' ' LEU . 6.3 mp -70.25 -39.59 74.93 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.079 -0.648 . . . . 0.0 112.717 -179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.524 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 62.9 t0 -89.32 109.31 20.22 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 119.467 -0.893 . . . . 0.0 111.743 -178.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.42 -34.39 78.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.309 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -55.43 -37.02 67.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.96 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.08 9.15 66.31 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 108.188 -1.965 . . . . 0.0 108.188 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.681 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 47.5 p30 -62.65 -33.78 75.73 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 114.309 -0.945 . . . . 0.0 112.981 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.681 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.3 -7.12 66.35 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.495 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 58.6 mp0 -114.63 153.44 30.16 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 26.2 m -126.09 152.51 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.979 0.895 . . . . 0.0 112.826 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.6 t0 -103.0 159.76 15.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 113.786 -1.552 . . . . 0.0 108.429 178.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.492 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 74.8 t80 -51.11 -40.75 59.17 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.45 -0.9 . . . . 0.0 109.603 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.456 ' O ' HG12 ' B' ' 75' ' ' VAL . 51.3 tt0 -58.09 -41.92 84.5 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.597 178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.412 ' O ' HG22 ' B' ' 76' ' ' VAL . 94.6 mt-10 -68.34 -38.04 81.1 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.576 0.703 . . . . 0.0 110.198 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -63.47 -44.91 93.07 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.456 HG12 ' O ' ' B' ' 72' ' ' GLN . 3.4 p -59.95 -39.79 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 119.55 -0.86 . . . . 0.0 110.634 -178.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.412 HG22 ' O ' ' B' ' 73' ' ' GLU . 35.2 m -74.37 -32.94 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 120.05 -0.66 . . . . 0.0 109.355 178.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.79 HD12 HD22 ' B' ' 61' ' ' LEU . 15.7 tp -56.54 -45.59 81.09 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.135 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.25 -34.59 44.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.249 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.53 85.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.907 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.68 95.7 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.039 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.2 -36.96 85.78 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.106 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.682 HG23 ' CG ' ' A' ' 8' ' ' MET . 49.4 m -54.21 -36.8 63.85 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.628 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.7 t -58.56 -34.68 51.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.013 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.57 -37.37 75.6 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.351 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 89.4 mmm -60.63 -37.87 82.91 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.214 -0.595 . . . . 0.0 111.251 178.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -60.09 -45.87 91.47 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.078 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -65.87 -44.3 85.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.119 0.485 . . . . 0.0 111.413 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -62.53 -42.54 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.208 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -53.52 -39.06 64.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.967 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -54.48 -34.9 62.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.54 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.44 -32.89 72.87 Favored 'General case' 0 N--CA 1.461 0.087 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.558 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -104.57 137.02 43.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.44 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.531 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -62.87 154.39 30.26 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.95 0.405 . . . . 0.0 110.599 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -58.2 -37.3 74.53 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.204 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.9 tp -59.37 -42.27 91.23 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.78 -40.11 94.72 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.19 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.8 m -60.26 -42.82 96.15 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.421 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.429 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -67.36 -39.67 85.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.668 ' CG ' HG23 ' B' ' 82' ' ' THR . 47.7 ttm -60.6 -43.86 96.94 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.299 -178.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -57.93 -30.55 66.03 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.26 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.429 HG21 ' HB2' ' B' ' 7' ' ' ALA . 40.5 m -55.01 -38.34 67.77 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 120.186 -0.606 . . . . 0.0 109.997 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.9 mt -64.51 -41.18 96.57 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.576 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.513 HG22 ' CD2' ' A' ' 16' ' ' HIS . 76.2 mt -64.38 -45.85 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.207 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.08 -42.95 95.71 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.781 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.0 m -71.02 -36.5 63.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.004 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.82 -48.12 82.98 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.934 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.513 ' CD2' HG22 ' A' ' 12' ' ' ILE . 94.6 m-70 -63.45 -47.46 81.79 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.9 -48.8 75.18 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.198 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.561 ' CG ' HD13 ' A' ' 36' ' ' LEU . 75.3 m80 -63.35 -45.94 88.89 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.466 179.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.7 m -58.95 -40.88 86.01 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.714 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.62 -37.71 93.86 Favored Glycine 0 CA--C 1.527 0.808 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.931 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.07 -42.26 89.94 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -123.83 149.18 46.05 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.12 -116.79 9.61 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 109.061 -1.616 . . . . 0.0 109.061 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 24' ' ' ASP . 51.7 p30 -143.6 159.07 43.11 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 178.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -61.91 -37.94 86.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.424 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -64.34 -35.78 81.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.54 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -127.39 144.5 51.04 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.552 0.691 . . . . 0.0 112.344 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.429 HD12 ' CD ' ' A' ' 32' ' ' GLU . 12.4 tp -108.27 125.77 52.05 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.4 p -83.66 156.07 22.85 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.667 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 16.1 tptm -60.18 -44.69 94.87 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.44 179.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.84 -41.4 91.28 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 119.675 -0.81 . . . . 0.0 108.949 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.542 ' OE2' ' O ' ' A' ' 18' ' ' HIS . 84.5 tt0 -63.26 -38.34 90.79 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.864 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.746 HD22 HG21 ' A' ' 69' ' ' VAL . 18.5 tp -62.53 -43.67 98.24 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.48 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.506 ' O ' ' OE1' ' A' ' 38' ' ' GLN . 32.3 ttpt -60.24 -46.61 89.18 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.755 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.51 -38.54 91.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.605 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.561 HD13 ' CG ' ' A' ' 18' ' ' HIS . 50.3 tp -61.67 -45.58 93.39 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.697 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -69.15 -43.48 74.23 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.816 179.083 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.531 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -65.44 -42.77 92.04 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.772 -0.771 . . . . 0.0 111.975 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.0 m -69.86 -44.55 69.61 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.508 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 77.2 mm-40 -75.99 -31.25 58.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.532 ' HG ' ' H ' ' A' ' 43' ' ' GLY . 14.3 tp -97.78 137.84 36.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.456 0.646 . . . . 0.0 111.92 -176.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.61 ' O ' ' N ' ' A' ' 44' ' ' PHE . 25.7 m -51.73 -28.36 14.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.126 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.532 ' H ' ' HG ' ' A' ' 41' ' ' LEU . . . -44.66 -9.85 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.61 ' N ' ' O ' ' A' ' 42' ' ' SER . 66.0 t80 -49.53 -39.41 34.27 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.7 tp -56.77 -35.43 68.65 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.686 ' C ' ' H ' ' A' ' 48' ' ' GLN . 88.6 m-20 -79.88 12.61 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.309 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -55.5 19.32 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.317 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.686 ' H ' ' C ' ' A' ' 46' ' ' ASP . 25.3 mt-30 -65.21 161.77 18.6 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -53.74 -26.28 22.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.792 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.99 -35.07 63.95 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 48' ' ' GLN . 5.5 p -53.75 -19.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.763 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.0 p30 -56.54 -30.6 63.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.693 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.654 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -57.09 -27.78 62.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 51' ' ' VAL . 6.8 p -53.51 -34.94 24.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.905 179.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.543 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 56.2 t0 -65.02 -43.8 91.25 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.806 -0.758 . . . . 0.0 112.344 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -69.63 -44.08 71.36 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.465 0.65 . . . . 0.0 112.499 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 54' ' ' VAL . 3.9 p -62.5 -32.5 55.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.476 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.573 ' SD ' ' O ' ' A' ' 58' ' ' MET . 3.3 tmm? -55.4 -36.54 66.55 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.099 0.476 . . . . 0.0 110.526 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -58.19 -37.46 74.8 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.073 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.17 -38.85 92.52 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.449 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.575 ' N ' HD12 ' A' ' 61' ' ' LEU . 8.4 mp -67.17 -38.03 84.76 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.812 178.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.513 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 63.6 t0 -85.88 108.8 18.32 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 119.885 -0.726 . . . . 0.0 110.947 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.61 -33.22 75.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.973 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -56.07 -38.64 70.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.046 -177.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.1 5.93 81.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 108.366 -1.894 . . . . 0.0 108.366 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.655 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 51.4 p30 -63.29 -32.97 74.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.398 -0.901 . . . . 0.0 112.53 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.655 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 96.55 -3.61 63.45 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.478 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 95.9 mt-10 -112.03 151.91 28.78 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.746 HG21 HD22 ' A' ' 33' ' ' LEU . 41.3 t -111.06 133.79 55.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.563 0.697 . . . . 0.0 111.589 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -99.41 157.85 16.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.713 -1.131 . . . . 0.0 109.051 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -52.59 -42.14 64.26 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.095 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.443 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.5 tt0 -58.63 -41.23 85.46 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.226 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' O ' HG22 ' A' ' 76' ' ' VAL . 96.5 mt-10 -68.11 -39.0 82.89 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.387 0.613 . . . . 0.0 110.494 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.06 -45.15 90.05 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.539 HG13 ' HB1' ' B' ' 79' ' ' ALA . 4.0 p -59.94 -38.95 78.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 119.736 -0.786 . . . . 0.0 110.594 -178.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.6 m -75.96 -32.8 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.783 178.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.432 ' C ' HD23 ' A' ' 77' ' ' LEU . 10.0 tt -60.72 -41.65 95.7 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 75' ' ' VAL . 25.2 m -72.48 -32.0 40.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 CA-C-O 121.25 0.547 . . . . 0.0 110.993 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.534 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -61.23 -36.26 79.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.131 -179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.1 93.26 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.429 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.525 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.5 mp -65.54 -36.46 83.86 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.144 0.497 . . . . 0.0 109.936 178.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.669 HG23 ' CG ' ' B' ' 8' ' ' MET . 51.4 m -53.73 -36.99 62.89 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.737 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.0 t -58.98 -34.77 53.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.094 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.26 -36.88 76.3 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.242 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 88.9 mmm -60.04 -37.58 80.21 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.011 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -60.0 -46.16 90.39 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.574 -0.851 . . . . 0.0 111.161 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -65.5 -44.36 87.25 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 121.025 0.441 . . . . 0.0 111.472 179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -62.58 -41.83 99.18 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.405 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -53.63 -39.31 64.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.094 -177.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.27 -34.78 61.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.065 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.67 -33.24 68.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -103.64 136.98 42.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.557 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.561 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.727 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -62.83 154.37 30.15 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.596 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -58.17 -37.33 74.5 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.19 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 14.8 tp -59.27 -42.35 91.0 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.78 -40.05 94.62 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.217 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.0 m -60.23 -42.82 96.03 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.522 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.429 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -67.36 -39.57 85.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.998 179.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.669 ' CG ' HG23 ' A' ' 82' ' ' THR . 47.8 ttm -60.69 -43.88 97.23 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.348 -178.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -57.85 -30.52 65.86 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.322 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.429 HG21 ' HB2' ' A' ' 7' ' ' ALA . 41.0 m -55.15 -38.22 67.98 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.057 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.2 mt -64.47 -41.23 96.62 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.06 -1.056 . . . . 0.0 110.587 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.516 HG22 ' CD2' ' B' ' 16' ' ' HIS . 75.8 mt -64.31 -45.89 94.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.221 -179.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.06 -42.95 95.61 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.799 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.411 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 24.8 m -71.08 -36.42 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.12 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.402 ' O ' ' OG ' ' B' ' 19' ' ' SER . 68.8 t80 -59.79 -48.16 82.82 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 119.338 -0.945 . . . . 0.0 109.896 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.516 ' CD2' HG22 ' B' ' 12' ' ' ILE . 94.7 m-70 -63.42 -47.46 81.82 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -48.76 75.28 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.154 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.559 ' CG ' HD13 ' B' ' 36' ' ' LEU . 75.4 m80 -63.36 -46.01 88.54 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.167 -0.613 . . . . 0.0 111.494 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 24.5 m -58.9 -40.78 85.51 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.789 -179.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.63 -37.8 93.95 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.9 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.1 -42.21 89.95 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -123.89 149.07 46.27 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.24 -116.8 9.66 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' B' ' 27' ' ' LYS . 51.7 p30 -143.58 159.13 43.0 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -61.91 -37.95 86.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.456 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -64.33 -35.86 82.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.527 -178.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.436 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 41.3 mtmt -127.31 144.37 51.06 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.542 0.687 . . . . 0.0 112.414 -178.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.431 HD12 ' CD ' ' B' ' 32' ' ' GLU . 12.4 tp -108.06 125.78 51.96 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 177.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 59.4 p -83.68 155.97 22.87 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.69 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 16.0 tptm -60.11 -44.64 94.71 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.548 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -59.91 -41.32 91.44 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 119.654 -0.818 . . . . 0.0 108.98 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.538 ' OE2' ' O ' ' B' ' 18' ' ' HIS . 84.6 tt0 -63.34 -38.28 90.52 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.832 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.738 HD22 HG21 ' B' ' 69' ' ' VAL . 18.4 tp -62.53 -43.55 98.53 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.493 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.51 ' O ' ' OE1' ' B' ' 38' ' ' GLN . 32.3 ttpt -60.4 -46.62 89.33 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 119.546 -0.862 . . . . 0.0 110.681 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.38 -38.65 91.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.658 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.559 HD13 ' CG ' ' B' ' 18' ' ' HIS . 50.3 tp -61.6 -45.6 93.4 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.682 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.8 OUTLIER -69.22 -43.51 73.95 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.803 179.175 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.536 ' CD ' ' N ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -65.36 -42.79 92.41 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 119.842 -0.743 . . . . 0.0 112.069 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 49.4 m -69.89 -44.53 69.55 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.512 ' OE2' ' CE1' ' B' ' 18' ' ' HIS . 77.3 mm-40 -75.97 -31.29 58.95 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.53 ' HG ' ' H ' ' B' ' 43' ' ' GLY . 14.2 tp -97.71 137.84 35.99 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.495 0.664 . . . . 0.0 111.999 -176.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.594 ' O ' ' N ' ' B' ' 44' ' ' PHE . 27.5 m -51.84 -28.28 15.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.098 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.53 ' H ' ' HG ' ' B' ' 41' ' ' LEU . . . -44.61 -9.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.594 ' N ' ' O ' ' B' ' 42' ' ' SER . 65.9 t80 -49.45 -39.44 33.2 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.8 -35.4 68.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.685 ' C ' ' H ' ' B' ' 48' ' ' GLN . 88.8 m-20 -79.88 12.58 2.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.299 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' B' ' 44' ' ' PHE . . . -55.39 19.14 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.319 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.685 ' H ' ' C ' ' B' ' 46' ' ' ASP . 25.3 mt-30 -64.99 161.75 18.02 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -53.77 -26.31 23.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.764 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.05 -34.91 63.94 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.657 ' O ' HG12 ' B' ' 54' ' ' VAL . 5.5 p -53.76 -19.44 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.669 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.641 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.0 p30 -56.44 -30.69 63.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.684 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.641 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.01 -27.82 61.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.657 HG12 ' O ' ' B' ' 51' ' ' VAL . 6.7 p -53.46 -34.93 24.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.945 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.543 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 56.4 t0 -65.1 -43.8 90.88 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.744 -0.783 . . . . 0.0 112.34 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -69.57 -44.13 71.46 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.459 0.647 . . . . 0.0 112.528 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.411 HG12 ' O ' ' B' ' 54' ' ' VAL . 3.9 p -62.45 -32.45 55.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.487 -177.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.568 ' SD ' ' O ' ' B' ' 58' ' ' MET . 3.3 tmm? -55.48 -36.5 66.68 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.104 0.478 . . . . 0.0 110.517 -179.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -58.29 -37.34 74.84 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.054 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.32 -38.78 92.25 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.365 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.581 HD12 ' N ' ' B' ' 61' ' ' LEU . 8.4 mp -67.27 -37.9 84.22 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.848 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.515 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 63.7 t0 -85.98 108.8 18.38 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.884 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.64 -33.25 75.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.003 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -55.99 -38.59 70.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.12 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.08 5.81 81.4 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.65 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 51.5 p30 -63.17 -33.03 74.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.307 -0.946 . . . . 0.0 112.581 -179.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.65 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 96.61 -3.57 63.29 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -178.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 95.9 mt-10 -112.09 151.87 28.91 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.738 HG21 HD22 ' B' ' 33' ' ' LEU . 41.2 t -111.04 133.79 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.494 0.664 . . . . 0.0 111.638 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -99.42 157.83 16.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.021 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -52.56 -42.13 64.16 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 119.646 -0.822 . . . . 0.0 110.125 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.429 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.5 tt0 -58.73 -41.12 85.67 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.281 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.423 ' O ' HG22 ' B' ' 76' ' ' VAL . 96.5 mt-10 -68.14 -38.99 82.77 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.396 0.617 . . . . 0.0 110.529 179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -64.05 -45.14 90.12 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.534 HG13 ' HB1' ' A' ' 79' ' ' ALA . 3.9 p -59.96 -38.92 78.58 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 119.774 -0.77 . . . . 0.0 110.616 -178.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 73' ' ' GLU . 32.6 m -76.03 -32.83 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.696 178.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.436 HD23 ' C ' ' B' ' 77' ' ' LEU . 10.0 tt -60.72 -41.6 95.61 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.232 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.425 HG22 ' O ' ' B' ' 75' ' ' VAL . 25.1 m -72.5 -31.92 39.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.28 0.562 . . . . 0.0 111.01 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.539 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -61.34 -36.21 79.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.125 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.12 93.23 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.039 -0.665 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.52 HD12 ' H ' ' B' ' 81' ' ' LEU . 6.5 mp -65.46 -36.45 83.94 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.161 0.505 . . . . 0.0 110.037 178.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.668 HG23 ' CG ' ' A' ' 8' ' ' MET . 50.3 m -53.81 -36.85 62.92 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.778 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.95 -34.91 54.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.085 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.14 -36.93 76.1 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.317 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 88.7 mmm -60.14 -37.58 80.52 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.946 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -59.87 -46.3 89.76 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.696 -0.802 . . . . 0.0 111.15 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -65.39 -44.5 87.31 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.046 0.45 . . . . 0.0 111.473 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -62.54 -41.83 99.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.426 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -53.59 -39.25 64.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.119 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.32 -34.73 61.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.103 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.61 -33.35 68.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -103.6 136.9 42.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.601 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.529 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t -107.46 143.08 36.32 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.089 0.471 . . . . 0.0 110.523 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.09 -36.31 77.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.411 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.64 -42.45 96.96 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.753 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.881 ' OE2' HD12 ' B' ' 41' ' ' LEU . 77.0 mm-40 -66.88 -39.32 87.47 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.668 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.0 m -61.53 -43.13 99.42 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.405 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' B' ' 10' ' ' THR . . . -68.5 -38.37 80.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.716 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.665 ' CG ' HG23 ' B' ' 82' ' ' THR . 46.7 ttm -59.9 -43.33 94.89 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 120.998 0.428 . . . . 0.0 112.124 -178.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.96 -31.15 66.59 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.262 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.443 HG21 ' HB2' ' B' ' 7' ' ' ALA . 38.6 m -56.15 -37.43 69.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.356 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.4 mt -63.0 -41.16 99.51 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.053 -1.059 . . . . 0.0 110.559 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.0 mt -64.99 -45.09 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.031 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -60.55 -41.13 93.9 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.896 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.416 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 27.4 m -73.73 -38.68 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 119.867 -0.733 . . . . 0.0 110.469 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 19' ' ' SER . 71.1 t80 -62.8 -49.76 73.66 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.491 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -64.18 -47.94 77.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.434 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.05 -52.45 42.04 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 120.056 -0.658 . . . . 0.0 112.061 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.467 ' CE1' ' OE2' ' A' ' 40' ' ' GLU . 77.5 m80 -62.82 -48.33 79.57 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.519 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 15' ' ' PHE . 20.1 t -61.71 -40.15 94.02 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.959 0.409 . . . . 0.0 110.715 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.549 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . . . -63.04 -37.36 94.82 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.849 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -58.76 -41.31 86.28 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.522 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 95.4 mt-10 -126.72 150.3 49.12 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.934 -179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.04 -163.65 53.9 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.69 137.63 49.93 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' NZ ' ' O ' ' A' ' 20' ' ' GLY . 65.4 mmtt -61.16 -40.72 94.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.211 0.529 . . . . 0.0 110.078 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -69.42 -33.59 73.2 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -116.06 149.59 38.67 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -176.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -104.32 131.27 51.84 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.0 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -98.79 150.91 21.36 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.574 ' HZ2' ' CG ' ' A' ' 55' ' ' ASP . 59.1 tttt -55.57 -39.16 70.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 118.521 -1.272 . . . . 0.0 110.945 -177.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -56.58 -40.9 76.02 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 118.452 -1.299 . . . . 0.0 108.516 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.522 ' OE2' ' O ' ' A' ' 22' ' ' GLU . 96.2 mt-10 -66.46 -36.67 83.33 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.337 178.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.682 HD22 HG21 ' A' ' 69' ' ' VAL . 16.6 tp -66.85 -50.73 61.63 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -60.46 -43.82 96.52 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.576 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.65 -37.74 85.44 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.471 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.6 tt -64.89 -43.93 91.28 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.061 -0.656 . . . . 0.0 110.448 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.613 HD12 HD22 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -68.14 -40.72 82.37 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.155 179.361 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' NE2' ' CB ' ' A' ' 47' ' ' ALA . 62.7 tt0 -63.32 -45.68 90.2 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.426 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.2 m -70.87 -43.35 68.61 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 77.2 mm-40 -74.62 -32.33 62.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -177.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.892 HD12 ' OE2' ' B' ' 5' ' ' GLU . 13.6 tp -97.98 140.31 32.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.11 0.481 . . . . 0.0 111.171 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.584 ' O ' ' N ' ' A' ' 44' ' ' PHE . 87.6 p -54.29 -24.49 19.23 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.591 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -46.42 -9.7 0.03 OUTLIER Glycine 0 CA--C 1.522 0.511 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 178.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.584 ' N ' ' O ' ' A' ' 42' ' ' SER . 46.4 t80 -47.66 -42.19 24.04 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.3 mt -62.97 -35.21 79.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.205 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.672 ' C ' ' H ' ' A' ' 48' ' ' GLN . 28.4 p30 -90.12 13.17 15.73 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.287 -178.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.57 ' HA ' HG11 ' A' ' 51' ' ' VAL . . . -56.47 20.26 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.672 ' H ' ' C ' ' A' ' 46' ' ' ASP . 93.2 mt-30 -60.55 162.09 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -48.85 -18.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -55.37 -34.79 64.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.033 0.444 . . . . 0.0 110.164 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.609 ' O ' HG12 ' A' ' 54' ' ' VAL . 17.9 m -58.39 -10.87 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.335 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 51.7 p30 -58.63 -30.34 67.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.887 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.654 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -57.66 -27.19 62.63 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.673 0.749 . . . . 0.0 109.292 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.632 ' O ' HG22 ' A' ' 57' ' ' VAL . 6.1 p -51.86 -36.79 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.574 ' CG ' ' HZ2' ' A' ' 30' ' ' LYS . 54.7 t0 -60.72 -42.06 96.52 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.59 178.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.43 -38.04 89.62 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.499 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 54' ' ' VAL . 2.2 m -68.61 -29.49 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 120.231 -0.588 . . . . 0.0 111.946 -178.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 93.0 mmm -55.51 -39.39 70.45 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.818 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -62.02 -43.28 99.18 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.007 -0.677 . . . . 0.0 111.099 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.33 -42.35 88.31 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 -178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.482 ' HG ' ' N ' ' A' ' 62' ' ' ASP . 0.6 OUTLIER -78.11 -36.95 47.36 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -178.307 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.49 ' OD2' ' OD1' ' A' ' 66' ' ' ASP . 63.6 t0 -87.67 110.47 20.44 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.308 -179.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.04 -33.49 75.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.366 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -56.77 -38.9 73.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.857 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.21 4.86 64.74 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 108.209 -1.957 . . . . 0.0 108.209 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.658 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 54.9 p30 -63.31 -33.97 76.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.379 -0.91 . . . . 0.0 112.899 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.658 ' N ' ' OD1' ' A' ' 66' ' ' ASP . . . 94.65 0.36 64.61 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 109.724 -1.351 . . . . 0.0 109.724 -178.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -109.32 152.46 25.25 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.682 HG21 HD22 ' A' ' 33' ' ' LEU . 44.1 t -108.66 132.6 56.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.57 0.7 . . . . 0.0 111.576 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -101.97 159.32 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -52.12 -42.32 63.2 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.997 -1.081 . . . . 0.0 109.721 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.47 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.4 tt0 -59.73 -41.38 90.78 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.689 178.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.484 ' OE2' ' OD1' ' A' ' 62' ' ' ASP . 96.6 mt-10 -68.37 -39.53 81.73 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.523 0.678 . . . . 0.0 111.107 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -63.75 -45.19 90.96 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.096 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 72' ' ' GLN . 2.5 p -60.34 -38.85 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.691 -178.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.6 m -75.57 -33.4 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 120.142 -0.623 . . . . 0.0 109.692 178.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.497 ' C ' HD23 ' A' ' 77' ' ' LEU . 9.7 tt -59.65 -42.44 92.8 Favored 'General case' 0 N--CA 1.457 -0.089 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 75' ' ' VAL . 22.6 m -72.27 -31.07 37.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 C-N-CA 120.276 -0.569 . . . . 0.0 111.265 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.25 80.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.644 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.23 -43.71 90.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.594 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.613 HD22 HD12 ' A' ' 37' ' ' LEU . 6.2 mp -65.52 -35.33 80.54 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.043 0.449 . . . . 0.0 110.171 178.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.671 HG23 ' CG ' ' B' ' 8' ' ' MET . 87.4 m -52.91 -36.78 60.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.559 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.2 t -58.47 -35.95 56.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.229 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.3 79.8 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.266 -0.573 . . . . 0.0 110.428 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.0 tpt -57.22 -39.5 75.59 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -59.79 -41.5 91.29 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.64 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -61.38 -44.05 97.82 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.795 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.6 -36.42 83.67 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.708 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -53.48 -39.22 64.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.947 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.54 -34.95 62.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.566 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.58 -32.71 72.82 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.579 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.22 137.12 42.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.593 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -107.39 143.12 36.15 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.119 0.485 . . . . 0.0 110.556 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.05 -36.4 77.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.427 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 21.9 tp -60.52 -42.41 96.38 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.846 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.892 ' OE2' HD12 ' A' ' 41' ' ' LEU . 77.0 mm-40 -66.93 -39.41 87.34 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.597 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.4 m -61.46 -43.12 99.43 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.478 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.443 ' HB2' HG21 ' A' ' 10' ' ' THR . . . -68.49 -38.47 81.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.657 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.671 ' CG ' HG23 ' A' ' 82' ' ' THR . 46.6 ttm -59.85 -43.31 94.72 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.84 -31.24 66.46 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.324 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.424 HG21 ' HB2' ' A' ' 7' ' ' ALA . 38.8 m -56.05 -37.61 69.49 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.289 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.83 -41.33 99.28 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 119.046 -1.062 . . . . 0.0 110.522 -179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.91 -44.99 96.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.103 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -60.5 -41.25 93.95 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.881 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.434 ' O ' ' ND1' ' B' ' 18' ' ' HIS . 27.1 m -73.76 -38.65 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.445 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' B' ' 19' ' ' SER . 71.1 t80 -62.83 -49.73 73.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.511 178.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -64.07 -47.94 78.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.461 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.08 -52.5 41.24 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 120.099 -0.64 . . . . 0.0 112.04 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.47 ' CE1' ' OE2' ' B' ' 40' ' ' GLU . 77.5 m80 -62.8 -48.29 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.571 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' B' ' 15' ' ' PHE . 20.0 t -61.73 -40.13 93.99 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.02 0.438 . . . . 0.0 110.745 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.436 ' O ' ' NZ ' ' B' ' 25' ' ' LYS . . . -63.15 -37.25 94.61 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.824 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -58.75 -41.32 86.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.524 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 95.4 mt-10 -126.72 150.36 49.1 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.916 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.98 -163.68 53.84 Favored Glycine 0 C--N 1.333 0.4 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -70.73 137.65 49.87 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.436 ' NZ ' ' O ' ' B' ' 20' ' ' GLY . 65.3 mmtt -61.23 -40.66 94.86 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.078 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -69.51 -33.49 72.91 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -116.04 149.58 38.67 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -176.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.1 tp -104.32 131.28 51.83 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.975 177.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 27.5 t -98.81 150.93 21.36 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.572 ' HZ2' ' CG ' ' B' ' 55' ' ' ASP . 59.1 tttt -55.54 -39.23 70.31 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 118.529 -1.269 . . . . 0.0 110.923 -177.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -56.56 -40.99 76.11 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 118.419 -1.312 . . . . 0.0 108.55 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.524 ' OE2' ' O ' ' B' ' 22' ' ' GLU . 96.2 mt-10 -66.29 -36.75 83.77 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.366 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.662 HD22 HG21 ' B' ' 69' ' ' VAL . 16.8 tp -66.83 -50.73 61.64 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -60.46 -43.85 96.47 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 120.05 -0.66 . . . . 0.0 110.598 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.56 -37.82 85.78 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.474 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.79 -43.94 91.57 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.524 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.608 HD12 HD22 ' B' ' 81' ' ' LEU . 0.5 OUTLIER -68.18 -40.73 82.16 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.162 179.385 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.439 ' NE2' ' CB ' ' B' ' 47' ' ' ALA . 62.5 tt0 -63.23 -45.7 90.41 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.484 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 46.9 m -70.8 -43.37 68.8 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.47 ' OE2' ' CE1' ' B' ' 18' ' ' HIS . 77.3 mm-40 -74.61 -32.4 62.31 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.881 HD12 ' OE2' ' A' ' 5' ' ' GLU . 13.7 tp -97.88 140.4 32.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.095 0.474 . . . . 0.0 111.218 -177.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.588 ' O ' ' N ' ' B' ' 44' ' ' PHE . 87.8 p -54.38 -24.54 20.06 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.565 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -46.36 -9.7 0.03 OUTLIER Glycine 0 CA--C 1.522 0.516 0 N-CA-C 109.901 -1.28 . . . . 0.0 109.901 178.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.588 ' N ' ' O ' ' B' ' 42' ' ' SER . 46.4 t80 -47.75 -42.14 24.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.91 -35.24 79.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.207 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.661 ' C ' ' H ' ' B' ' 48' ' ' GLN . 28.6 p30 -90.17 13.15 15.86 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.27 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.557 ' HA ' HG11 ' B' ' 51' ' ' VAL . . . -56.49 20.26 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.661 ' H ' ' C ' ' B' ' 46' ' ' ASP . 93.1 mt-30 -60.52 162.01 6.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.196 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -48.75 -18.82 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.22 -34.95 64.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.09 0.471 . . . . 0.0 110.229 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.602 ' O ' HG12 ' B' ' 54' ' ' VAL . 18.0 m -58.31 -10.95 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.317 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.657 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 51.7 p30 -58.6 -30.3 67.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.839 179.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.657 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -57.7 -27.28 62.79 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-O 121.586 0.707 . . . . 0.0 109.239 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.635 ' O ' HG22 ' B' ' 57' ' ' VAL . 6.1 p -51.74 -36.75 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.572 ' CG ' ' HZ2' ' B' ' 30' ' ' LYS . 54.8 t0 -60.72 -42.23 96.86 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.497 178.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -63.24 -38.12 89.92 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.508 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.635 HG22 ' O ' ' B' ' 54' ' ' VAL . 2.2 m -68.71 -29.45 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.927 -177.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 93.1 mmm -55.49 -39.38 70.37 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.827 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -62.02 -43.37 98.98 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.971 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.35 -42.34 88.22 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' B' ' 62' ' ' ASP . 0.6 OUTLIER -78.07 -37.07 47.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.316 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.491 ' OD2' ' OD1' ' B' ' 66' ' ' ASP . 63.6 t0 -87.6 110.51 20.43 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.303 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.17 -33.38 75.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.348 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -56.78 -38.95 73.23 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.84 -178.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.26 4.84 64.94 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.654 ' OD1' ' N ' ' B' ' 67' ' ' GLY . 54.9 p30 -63.45 -33.8 76.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.398 -0.901 . . . . 0.0 112.925 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.654 ' N ' ' OD1' ' B' ' 66' ' ' ASP . . . 94.63 0.33 64.68 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -178.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -109.35 152.42 25.32 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.662 HG21 HD22 ' B' ' 33' ' ' LEU . 43.9 t -108.58 132.61 56.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.438 0.637 . . . . 0.0 111.555 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -101.97 159.26 15.52 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -52.13 -42.27 63.2 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 118.988 -1.085 . . . . 0.0 109.712 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.465 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.4 tt0 -59.64 -41.45 90.5 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.748 178.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.48 ' OE2' ' OD1' ' B' ' 62' ' ' ASP . 96.7 mt-10 -68.59 -39.36 80.97 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.486 0.66 . . . . 0.0 111.016 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -63.81 -45.15 90.96 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.465 HG12 ' O ' ' B' ' 72' ' ' GLN . 2.4 p -60.35 -38.83 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.679 -178.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.455 HG22 ' O ' ' B' ' 73' ' ' GLU . 32.6 m -75.62 -33.37 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.642 178.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.488 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.7 tt -59.73 -42.4 93.05 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.435 HG22 ' O ' ' B' ' 75' ' ' VAL . 22.7 m -72.25 -31.08 37.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.293 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.29 80.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.611 -178.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.66 90.84 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.625 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.608 HD22 HD12 ' B' ' 37' ' ' LEU . 6.2 mp -65.51 -35.33 80.56 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.075 0.464 . . . . 0.0 110.2 178.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.665 HG23 ' CG ' ' A' ' 8' ' ' MET . 86.6 m -52.93 -36.74 60.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.644 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.1 t -58.49 -35.98 57.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.151 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.33 79.95 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.437 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.16 -39.49 75.36 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -59.68 -41.62 91.09 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.694 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -61.32 -44.04 97.87 Favored 'General case' 0 N--CA 1.458 -0.051 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.785 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.68 -36.3 83.24 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.762 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -53.56 -39.17 64.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.984 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -54.47 -35.02 62.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.595 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.66 -32.57 72.74 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.577 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -104.3 137.05 42.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.593 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.557 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.467 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 54.6 p -69.75 162.26 28.14 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.954 0.407 . . . . 0.0 110.577 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.58 -36.23 78.01 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.941 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.65 -42.22 96.55 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.916 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.38 -39.17 88.92 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.95 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 46.4 m -62.6 -42.47 99.59 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.291 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.74 -37.71 85.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.301 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.691 ' CG ' HG23 ' B' ' 82' ' ' THR . 47.3 ttm -59.44 -42.77 92.68 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.17 0.51 . . . . 0.0 111.532 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.89 -31.16 66.47 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.24 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.0 m -55.94 -37.27 68.74 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.314 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.57 -41.47 98.95 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.401 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.0 mt -65.32 -43.6 94.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.806 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -59.48 -42.95 93.26 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.786 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -73.79 -38.28 50.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.848 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.483 ' CE1' HD22 ' A' ' 28' ' ' LEU . 66.5 t80 -62.42 -49.11 76.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.363 0.602 . . . . 0.0 110.127 179.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.633 ' NE2' ' CE ' ' A' ' 25' ' ' LYS . 21.4 t-80 -64.13 -49.09 73.56 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.496 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.69 -48.67 71.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.248 -0.581 . . . . 0.0 112.047 -178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -64.13 -46.73 82.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.931 -0.708 . . . . 0.0 111.074 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 t -60.79 -40.94 94.47 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.352 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.44 -40.43 98.82 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.117 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -60.02 -40.05 87.98 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 95.7 mt-10 -121.54 153.08 38.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.061 0.458 . . . . 0.0 111.912 -178.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.2 -164.5 1.46 Allowed Glycine 0 C--N 1.331 0.297 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -71.83 135.82 46.79 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.633 ' CE ' ' NE2' ' A' ' 16' ' ' HIS . 42.3 tttm -60.28 -40.59 90.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.215 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -65.98 -32.58 74.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.266 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -116.02 146.15 42.4 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.638 0.732 . . . . 0.0 112.828 -178.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.647 HD12 ' OE1' ' A' ' 32' ' ' GLU . 16.9 tp -107.3 131.15 54.53 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.458 178.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.1 m -104.57 150.62 24.47 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -57.02 -36.54 70.57 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 118.72 -1.192 . . . . 0.0 109.895 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -55.53 -40.67 72.13 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 118.947 -1.101 . . . . 0.0 108.23 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.647 ' OE1' HD12 ' A' ' 28' ' ' LEU . 96.7 mt-10 -65.92 -37.5 86.25 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.5 tp -62.69 -45.69 91.59 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.988 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -60.23 -42.4 95.16 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.508 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.65 -42.35 95.5 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.86 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.6 tp -66.72 -44.19 82.28 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.065 -0.654 . . . . 0.0 112.045 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.49 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 0.6 OUTLIER -68.59 -42.46 78.19 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.416 -179.613 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -64.45 -40.88 96.57 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.019 -1.072 . . . . 0.0 111.187 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -69.24 -43.24 74.42 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' OE1' ' CB ' ' B' ' 2' ' ' SER . 76.9 mm-40 -75.52 -33.8 60.76 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.611 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -95.52 143.57 26.72 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.667 0.746 . . . . 0.0 112.821 -178.757 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 44' ' ' PHE . 86.6 p -58.43 -24.42 60.14 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 177.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.568 ' O ' ' OD1' ' A' ' 46' ' ' ASP . . . -45.6 -11.21 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.264 -1.335 . . . . 0.0 109.958 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' N ' ' O ' ' A' ' 42' ' ' SER . 56.7 t80 -46.4 -38.88 9.57 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.346 -0.941 . . . . 0.0 109.078 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 45' ' ' LEU . 2.9 mm? -59.83 -31.93 70.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.516 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.568 ' OD1' ' O ' ' A' ' 43' ' ' GLY . 27.3 p30 -82.27 15.77 2.29 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.064 0.459 . . . . 0.0 110.032 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' A' ' 48' ' ' GLN . . . -53.92 -21.61 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.54 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.515 ' O ' ' O ' ' A' ' 47' ' ' ALA . 93.6 mt-30 -51.69 -157.84 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.236 0.541 . . . . 0.0 111.686 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -55.5 -23.6 26.98 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.541 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -51.92 -34.45 41.64 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.661 ' O ' HG12 ' A' ' 54' ' ' VAL . 42.6 t -51.82 -38.4 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.237 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -53.39 -34.52 58.0 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.914 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.96 -28.38 62.2 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.058 0.456 . . . . 0.0 110.16 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 51' ' ' VAL . 4.8 p -54.0 -35.97 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -63.22 -42.1 99.22 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.718 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -63.67 -42.9 97.99 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.923 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.7 m -75.49 -30.48 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.331 -179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.3 ttt -55.95 -44.02 78.04 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-O 121.504 0.669 . . . . 0.0 110.136 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 62' ' ' ASP . 49.8 mtmt -61.85 -38.51 88.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.524 179.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.3 -42.46 99.38 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.884 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.89 -39.91 83.6 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.026 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.608 ' OD2' ' N ' ' A' ' 65' ' ' GLY . 21.3 t70 -94.52 121.36 36.0 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -178.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.77 -31.73 72.88 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.697 176.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.584 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -86.97 3.13 47.06 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.189 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.608 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 93.24 -3.56 72.86 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.545 ' OD1' ' OE1' ' A' ' 73' ' ' GLU . 1.8 t0 55.85 41.22 30.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 178.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.65 -37.32 60.92 Favored Glycine 0 C--N 1.312 -0.756 0 C-N-CA 117.333 -2.365 . . . . 0.0 107.928 177.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -121.89 144.74 48.67 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.7 t -110.58 133.27 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 120.04 -0.664 . . . . 0.0 111.651 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -103.19 157.36 17.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.274 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -53.71 -41.18 66.7 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.379 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.475 ' O ' HG12 ' A' ' 75' ' ' VAL . 50.6 tt0 -57.08 -40.54 77.13 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.041 179.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.545 ' OE1' ' OD1' ' A' ' 66' ' ' ASP . 97.4 mt-10 -67.45 -38.36 84.35 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.235 178.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -63.17 -45.23 92.79 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.517 HG13 ' HB1' ' B' ' 79' ' ' ALA . 3.5 p -60.41 -39.23 80.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.064 -178.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 73' ' ' GLU . 28.4 m -76.27 -33.65 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.087 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.41 ' C ' HD23 ' A' ' 77' ' ' LEU . 9.3 tt -61.59 -41.04 96.85 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.977 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 75' ' ' VAL . 22.1 m -72.0 -31.96 42.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-O 121.379 0.609 . . . . 0.0 110.657 179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.522 ' HB1' HG13 ' B' ' 75' ' ' VAL . . . -61.17 -35.39 76.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.913 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.67 -44.3 94.18 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.385 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.546 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.6 mp -65.63 -36.57 84.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.082 0.468 . . . . 0.0 110.055 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.678 HG23 ' CG ' ' B' ' 8' ' ' MET . 60.5 m -53.32 -37.11 61.98 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.555 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.8 t -58.81 -35.46 56.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.294 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.51 77.84 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.498 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpt -58.64 -42.09 87.52 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -59.81 -40.6 88.96 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.129 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -59.69 -41.1 89.94 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.148 179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.18 -46.12 90.35 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -57.39 -34.47 68.9 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.492 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.455 ' O ' ' OXT' ' A' ' 93' ' ' SER . 71.6 t-105 -54.73 -33.63 61.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.88 -33.45 66.89 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.541 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -55.5 -34.51 64.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.558 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.455 ' OXT' ' O ' ' A' ' 90' ' ' TRP . 28.9 p . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.576 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.469 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 54.6 p -69.79 162.23 28.26 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.946 0.403 . . . . 0.0 110.547 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.61 -36.2 78.01 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.97 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 38.6 tp -60.65 -42.21 96.54 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.914 179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.35 -39.18 89.01 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 120.163 -0.615 . . . . 0.0 109.94 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.4 m -62.63 -42.5 99.63 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.301 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.71 -37.76 85.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.283 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.678 ' CG ' HG23 ' A' ' 82' ' ' THR . 47.2 ttm -59.34 -42.76 92.23 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.178 0.513 . . . . 0.0 111.567 -178.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.96 -31.19 66.62 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.189 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.4 m -55.84 -37.32 68.56 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.324 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.5 mt -62.6 -41.38 98.94 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.452 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.32 -43.58 94.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.862 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -59.56 -42.97 93.62 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.773 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.2 m -73.73 -38.3 50.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.833 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.478 ' CE1' HD22 ' B' ' 28' ' ' LEU . 66.3 t80 -62.37 -49.11 76.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.325 0.583 . . . . 0.0 110.123 179.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.633 ' NE2' ' CE ' ' B' ' 25' ' ' LYS . 21.5 t-80 -64.07 -49.17 73.35 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.484 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -48.68 71.25 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.262 -0.575 . . . . 0.0 112.006 -178.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -64.17 -46.72 82.75 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.055 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.9 t -60.82 -40.9 94.48 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.381 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.44 -40.44 98.82 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 121.228 -0.511 . . . . 0.0 112.091 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -59.97 -40.16 88.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.444 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.7 mt-10 -121.4 153.09 38.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.007 0.432 . . . . 0.0 111.977 -178.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.26 -164.58 1.48 Allowed Glycine 0 CA--C 1.519 0.336 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -71.75 135.8 46.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.633 ' CE ' ' NE2' ' B' ' 16' ' ' HIS . 42.3 tttm -60.17 -40.79 91.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -65.88 -32.55 74.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.263 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -115.99 146.14 42.38 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.62 0.724 . . . . 0.0 112.81 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.659 HD12 ' OE1' ' B' ' 32' ' ' GLU . 17.0 tp -107.32 131.14 54.56 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 114.946 -1.025 . . . . 0.0 108.479 178.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m -104.55 150.68 24.42 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -57.08 -36.49 70.64 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 118.697 -1.201 . . . . 0.0 109.9 -178.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -55.55 -40.71 72.26 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 118.904 -1.119 . . . . 0.0 108.16 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.659 ' OE1' HD12 ' B' ' 28' ' ' LEU . 96.7 mt-10 -65.85 -37.5 86.35 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 23.5 tp -62.57 -45.72 91.64 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.092 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -60.29 -42.38 95.36 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.513 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.65 -42.36 95.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.888 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 38.5 tp -66.72 -44.24 82.13 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.016 -0.674 . . . . 0.0 112.063 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 0.6 OUTLIER -68.48 -42.59 78.45 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.302 -0.559 . . . . 0.0 112.39 -179.592 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -64.26 -40.92 96.98 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 119.096 -1.042 . . . . 0.0 111.298 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 47.6 m -69.23 -43.3 74.31 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' A' ' 2' ' ' SER . 76.9 mm-40 -75.38 -33.88 61.05 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.612 ' N ' ' CD2' ' B' ' 41' ' ' LEU . 0.4 OUTLIER -95.37 143.66 26.55 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.673 0.749 . . . . 0.0 112.823 -178.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.569 ' O ' ' N ' ' B' ' 44' ' ' PHE . 86.8 p -58.56 -24.41 60.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.575 ' O ' ' OD1' ' B' ' 46' ' ' ASP . . . -45.65 -11.12 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 114.25 -1.341 . . . . 0.0 109.912 178.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.569 ' N ' ' O ' ' B' ' 42' ' ' SER . 56.9 t80 -46.54 -38.86 10.0 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.95 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.498 ' N ' HD22 ' B' ' 45' ' ' LEU . 2.8 mm? -59.79 -32.01 70.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.511 178.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.575 ' OD1' ' O ' ' B' ' 43' ' ' GLY . 27.4 p30 -82.27 15.86 2.26 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.079 0.466 . . . . 0.0 110.006 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.515 ' O ' ' O ' ' B' ' 48' ' ' GLN . . . -53.98 -21.48 8.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.587 -178.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.515 ' O ' ' O ' ' B' ' 47' ' ' ALA . 93.7 mt-30 -51.77 -157.87 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.206 0.527 . . . . 0.0 111.702 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -55.43 -23.59 25.98 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.523 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -52.02 -34.39 42.79 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.667 ' O ' HG12 ' B' ' 54' ' ' VAL . 42.9 t -51.83 -38.38 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.295 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.46 -34.47 58.02 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.946 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.95 -28.33 62.1 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.175 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.667 HG12 ' O ' ' B' ' 51' ' ' VAL . 4.8 p -54.05 -35.91 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -63.13 -42.13 99.44 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.782 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -63.68 -42.87 97.98 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.947 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.7 m -75.45 -30.45 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.409 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.3 ttt -55.92 -44.06 77.95 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.625 0.726 . . . . 0.0 110.151 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' B' ' 62' ' ' ASP . 49.7 mtmt -61.93 -38.56 88.89 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.438 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -62.17 -42.56 99.39 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.903 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.8 -39.93 83.97 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.988 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.602 ' OD2' ' N ' ' B' ' 65' ' ' GLY . 21.2 t70 -94.59 121.35 36.06 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -178.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.71 -31.79 72.98 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.688 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.582 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 0.1 OUTLIER -86.94 3.02 47.41 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -177.103 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.602 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 93.32 -3.74 72.83 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.555 ' H ' ' ND2' ' B' ' 64' ' ' ASN . 1.8 t0 55.99 41.11 30.17 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -54.62 -37.35 60.85 Favored Glycine 0 C--N 1.311 -0.812 0 C-N-CA 117.355 -2.355 . . . . 0.0 107.878 177.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -121.86 144.8 48.63 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.7 t -110.62 133.37 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.612 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -103.24 157.46 17.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.211 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -53.81 -41.22 67.1 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.33 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.465 ' O ' HG12 ' B' ' 75' ' ' VAL . 50.6 tt0 -56.9 -40.7 76.75 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.117 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.527 ' OE1' ' OD1' ' B' ' 66' ' ' ASP . 97.4 mt-10 -67.39 -38.39 84.61 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.15 178.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -63.26 -45.11 93.03 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.522 HG13 ' HB1' ' A' ' 79' ' ' ALA . 3.4 p -60.59 -39.14 80.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 119.88 -0.728 . . . . 0.0 111.04 -178.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 73' ' ' GLU . 28.5 m -76.23 -33.72 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.086 178.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.414 HD23 ' C ' ' B' ' 77' ' ' LEU . 9.3 tt -61.56 -41.03 96.79 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.01 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.414 HG22 ' O ' ' B' ' 75' ' ' VAL . 22.1 m -72.03 -31.91 41.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.408 0.623 . . . . 0.0 110.701 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.517 ' HB1' HG13 ' A' ' 75' ' ' VAL . . . -61.25 -35.26 76.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.984 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.27 93.92 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.327 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.533 HD12 ' H ' ' B' ' 81' ' ' LEU . 6.6 mp -65.7 -36.52 83.85 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.071 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.691 HG23 ' CG ' ' A' ' 8' ' ' MET . 60.3 m -53.23 -37.16 61.81 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.67 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 70.0 t -58.8 -35.53 56.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.293 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.43 77.57 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.561 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 9.7 tpt -58.65 -42.14 87.67 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -59.79 -40.56 88.73 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.166 177.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -59.69 -41.05 89.86 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.179 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.23 -46.03 90.69 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -57.43 -34.52 69.03 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.53 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.456 ' O ' ' OXT' ' B' ' 93' ' ' SER . 71.6 t-105 -54.73 -33.74 61.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.74 -33.43 66.55 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -55.57 -34.5 64.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.564 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.456 ' OXT' ' O ' ' B' ' 90' ' ' TRP . 29.5 p . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.647 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_